Molecular Weight:   | 354.19 |
Volume:   | 364.172 |
LogP:   | 2.688 |
LogD:   | 2.641 |
LogS:   | -3.032 |
# Rotatable Bonds:   | 2 |
TPSA:   | 65.56 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 2 |
# Rings:   | 5 |
# Heavy Atoms:   | 5 |
QED Drug-Likeness Score:   | 0.773 |
Synthetic Accessibility Score:   | 3.875 |
Fsp3:   | 0.571 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Accepted |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -5.151 |
MDCK Permeability:   | 2.1052917873021215e-05 |
Pgp-inhibitor:   | 0.577 |
Pgp-substrate:   | 0.993 |
Human Intestinal Absorption (HIA):   | 0.012 |
20% Bioavailability (F20%):   | 0.579 |
30% Bioavailability (F30%):   | 0.006 |
Blood-Brain-Barrier Penetration (BBB):   | 0.543 |
Plasma Protein Binding (PPB):   | 54.83567428588867% |
Volume Distribution (VD):   | 1.697 |
Pgp-substrate:   | 45.388797760009766% |
CYP1A2-inhibitor:   | 0.591 |
CYP1A2-substrate:   | 0.927 |
CYP2C19-inhibitor:   | 0.125 |
CYP2C19-substrate:   | 0.847 |
CYP2C9-inhibitor:   | 0.047 |
CYP2C9-substrate:   | 0.223 |
CYP2D6-inhibitor:   | 0.282 |
CYP2D6-substrate:   | 0.892 |
CYP3A4-inhibitor:   | 0.175 |
CYP3A4-substrate:   | 0.849 |
Clearance (CL):   | 9.766 |
Half-life (T1/2):   | 0.527 |
hERG Blockers:   | 0.528 |
Human Hepatotoxicity (H-HT):   | 0.465 |
Drug-inuced Liver Injury (DILI):   | 0.416 |
AMES Toxicity:   | 0.096 |
Rat Oral Acute Toxicity:   | 0.879 |
Maximum Recommended Daily Dose:   | 0.973 |
Skin Sensitization:   | 0.383 |
Carcinogencity:   | 0.636 |
Eye Corrosion:   | 0.012 |
Eye Irritation:   | 0.072 |
Respiratory Toxicity:   | 0.98 |
Natural Product ID:   | NPC49196 |
Common Name*:   | Yohimbine |
IUPAC Name:   | methyl (1S,15R,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate |
Synonyms:   | Yohimbine |
Standard InCHIKey:   | BLGXFZZNTVWLAY-SCYLSFHTSA-N |
Standard InCHI:   | InChI=1S/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3/p+1/t12-,15-,17-,18-,19+/m0/s1 |
SMILES:   | COC(=O)[C@@H]1[C@H]2C[C@H]3C4=C(CCN3C[C@@H]2CC[C@@H]1O)c1ccccc1[NH2+]4 |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL15245 |
PubChem CID:   |
8969 |
Chemical Classification**:   |
|
*Note: the InCHIKey will be temporarily assigned as the "Common Name" if no IUPAC name or alternative short name is available.
**Note: the Chemical Classification was calculated by NPClassifier Version 1.5. Reference: PMID:34662515.
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO32758 | rauwolfia serpentina | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. |
PMID[15974606] |
NPO7282 | Rauvolfia serpentina | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO7282 | Rauvolfia serpentina | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO7282 | Rauvolfia serpentina | Species | Apocynaceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO9519 | Sonchus erzincanicus | Species | Asteraceae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
☑ Note for Reference:
In addition to directly collecting NP source organism data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated them from below databases:
☉ UNPD: Universal Natural Products Database [PMID: 23638153].
☉ StreptomeDB: a database of streptomycetes natural products [PMID: 33051671].
☉ TM-MC: a database of medicinal materials and chemical compounds in Northeast Asian traditional medicine [PMID: 26156871].
☉ TCM@Taiwan: a Traditional Chinese Medicine database [PMID: 21253603].
☉ TCMID: a Traditional Chinese Medicine database [PMID: 29106634].
☉ TCMSP: The traditional Chinese medicine systems pharmacology database and analysis platform [PMID: 24735618].
☉ HerDing: a herb recommendation system to treat diseases using genes and chemicals [PMID: 26980517].
☉ MetaboLights: a metabolomics database [PMID: 27010336].
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Organism ID | NP ID | Organism Material Preparation | Organism Part | NP Quantity (Standard) | NP Quantity (Minimum) | NP Quantity (Maximum) | Quantity Unit | Reference |
---|
☑ Note for Reference:
In addition to directly collecting NP quantitative data from primary literature (where reference will provided as NCBI PMID or DOI links), NPASS also integrated NP quantitative records for specific NP domains (e.g., NPS from foods or herbs) from domain-specific databases. These databases include:
☉ DUKE: Dr. Duke's Phytochemical and Ethnobotanical Databases.
☉ PHENOL EXPLORER: is the first comprehensive database on polyphenol content in foods [PMID: 24103452], its homepage can be accessed at here.
☉ FooDB: a database of constituents, chemistry and biology of food species [www.foodb.ca].
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT1858 | Individual Protein | Dopamine D2 receptor | Rattus norvegicus | IC50 | = | 1125.0 | nM | PMID[455903] |
NPT1788 | Individual Protein | Alpha-1a adrenergic receptor | Homo sapiens | Kd | = | 398.11 | nM | PMID[455904] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 0.42 | nM | PMID[455908] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 2.01 | nM | PMID[455908] |
NPT221 | Individual Protein | Alpha-1d adrenergic receptor | Homo sapiens | Ki | = | 1.6 | nM | PMID[455911] |
NPT3048 | Individual Protein | Alpha-1d adrenergic receptor | Rattus norvegicus | Ki | = | 52.0 | nM | PMID[455911] |
NPT1789 | Individual Protein | Alpha-1b adrenergic receptor | Homo sapiens | Ki | = | 7.2 | nM | PMID[455911] |
NPT1789 | Individual Protein | Alpha-1b adrenergic receptor | Homo sapiens | Ki | = | 1.1 | nM | PMID[455911] |
NPT3049 | Individual Protein | Alpha-2a adrenergic receptor | Sus scrofa | Ki | = | 4.4 | nM | PMID[455911] |
NPT3051 | Individual Protein | Alpha-1a adrenergic receptor | Bos taurus | Ki | = | 3.6 | nM | PMID[455911] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 180.0 | nM | PMID[455917] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 230.0 | nM | PMID[455917] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 520.0 | nM | PMID[455917] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 140.0 | nM | PMID[455917] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 190.0 | nM | PMID[455917] |
NPT1788 | Individual Protein | Alpha-1a adrenergic receptor | Homo sapiens | Ki | = | 1057.0 | nM | PMID[455918] |
NPT1789 | Individual Protein | Alpha-1b adrenergic receptor | Homo sapiens | Ki | = | 966.0 | nM | PMID[455918] |
NPT221 | Individual Protein | Alpha-1d adrenergic receptor | Homo sapiens | Ki | = | 289.0 | nM | PMID[455918] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 7.5 | nM | PMID[455918] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 4.6 | nM | PMID[455918] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 2.3 | nM | PMID[455918] |
NPT2719 | Individual Protein | Voltage-gated L-type calcium channel alpha-1C subunit | Rattus norvegicus | Ki | = | 45.0 | nM | PMID[455918] |
NPT228 | Individual Protein | Norepinephrine transporter | Homo sapiens | IC50 | > | 20000.0 | nM | PMID[455920] |
NPT3051 | Individual Protein | Alpha-1a adrenergic receptor | Bos taurus | Ki | = | 200.0 | nM | PMID[455923] |
NPT1779 | Individual Protein | Serotonin 2b (5-HT2b) receptor | Rattus norvegicus | -Log KB | = | 6.92 | n.a. | PMID[455924] |
NPT1778 | Individual Protein | Serotonin 2a (5-HT2a) receptor | Rattus norvegicus | Ki | = | 1621.81 | nM | PMID[455924] |
NPT3053 | Individual Protein | Serotonin 2c (5-HT2c) receptor | Mus musculus | Ki | > | 10000.0 | nM | PMID[455924] |
NPT1778 | Individual Protein | Serotonin 2a (5-HT2a) receptor | Rattus norvegicus | -Log KB | = | 6.37 | n.a. | PMID[455924] |
NPT3054 | Individual Protein | Adenosine A2b receptor | Rattus norvegicus | -Log KB | = | 7.77 | n.a. | PMID[455924] |
NPT3056 | Individual Protein | Dopamine D3 receptor | Rattus norvegicus | Ki | = | 2430.0 | nM | PMID[455933] |
NPT3057 | Individual Protein | Alpha-2a adrenergic receptor | Bos taurus | Ki | = | 49.0 | nM | PMID[455934] |
NPT3051 | Individual Protein | Alpha-1a adrenergic receptor | Bos taurus | Ki | = | 220.0 | nM | PMID[455934] |
NPT3057 | Individual Protein | Alpha-2a adrenergic receptor | Bos taurus | Ki | = | 49.0 | nM | PMID[455937] |
NPT3051 | Individual Protein | Alpha-1a adrenergic receptor | Bos taurus | Ki | = | 220.0 | nM | PMID[455937] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 3.1 | nM | PMID[455938] |
NPT3059 | Individual Protein | Alpha-2b adrenergic receptor | Rattus norvegicus | Ki | = | 2.0 | nM | PMID[455938] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | = | 8.4 | nM | PMID[455939] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | Ki | = | 180.0 | nM | PMID[455939] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 0.88 | nM | PMID[455940] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 1.4 | nM | PMID[455940] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 7.1 | nM | PMID[455940] |
NPT66 | Individual Protein | Acetylcholinesterase | Electrophorus electricus | IC50 | = | 431000.0 | nM | PMID[455945] |
NPT143 | Individual Protein | DNA topoisomerase I | Homo sapiens | IC50 | = | 30000.0 | nM | PMID[455947] |
NPT116 | Cell Line | HL-60 | Homo sapiens | IC50 | = | 84000.0 | nM | PMID[455947] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | EC50 | = | 8.5 | nM | PMID[455949] |
NPT242 | Individual Protein | Dopamine D1 receptor | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[455952] |
NPT443 | Individual Protein | Histone acetyltransferase GCN5 | Homo sapiens | Potency | n.a. | 31622.8 | nM | PMID[455952] |
NPT242 | Individual Protein | Dopamine D1 receptor | Homo sapiens | Potency | n.a. | 2909.1 | nM | PMID[455952] |
NPT5 | Individual Protein | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Homo sapiens | Potency | n.a. | 21192.3 | nM | PMID[455952] |
NPT478 | Individual Protein | Ataxin-2 | Homo sapiens | Potency | n.a. | 22387.2 | nM | PMID[455952] |
NPT219 | Individual Protein | Alpha-1a adrenergic receptor | Rattus norvegicus | IC50 | = | 1235.0 | nM | PMID[455958] |
NPT219 | Individual Protein | Alpha-1a adrenergic receptor | Rattus norvegicus | Ki | = | 500.0 | nM | PMID[455958] |
NPT220 | Individual Protein | Alpha-1b adrenergic receptor | Rattus norvegicus | IC50 | = | 1188.0 | nM | PMID[455958] |
NPT220 | Individual Protein | Alpha-1b adrenergic receptor | Rattus norvegicus | Ki | = | 658.0 | nM | PMID[455958] |
NPT221 | Individual Protein | Alpha-1d adrenergic receptor | Homo sapiens | IC50 | = | 1013.0 | nM | PMID[455958] |
NPT221 | Individual Protein | Alpha-1d adrenergic receptor | Homo sapiens | Ki | = | 498.0 | nM | PMID[455958] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | IC50 | = | 6.151 | nM | PMID[455958] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 2.307 | nM | PMID[455958] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | IC50 | = | 17.0 | nM | PMID[455958] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 7.947 | nM | PMID[455958] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | IC50 | = | 36.0 | nM | PMID[455958] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 5.162 | nM | PMID[455958] |
NPT110 | Individual Protein | Cytochrome P450 2D6 | Homo sapiens | IC50 | = | 2031.7 | nM | PMID[455958] |
NPT243 | Individual Protein | Dopamine D2 receptor | Homo sapiens | IC50 | = | 2060.0 | nM | PMID[455958] |
NPT243 | Individual Protein | Dopamine D2 receptor | Homo sapiens | Ki | = | 687.0 | nM | PMID[455958] |
NPT288 | Individual Protein | Serotonin 1a (5-HT1a) receptor | Rattus norvegicus | IC50 | = | 126.0 | nM | PMID[455958] |
NPT288 | Individual Protein | Serotonin 1a (5-HT1a) receptor | Rattus norvegicus | Ki | = | 72.0 | nM | PMID[455958] |
NPT291 | Individual Protein | Serotonin 2b (5-HT2b) receptor | Homo sapiens | IC50 | = | 74.0 | nM | PMID[455958] |
NPT291 | Individual Protein | Serotonin 2b (5-HT2b) receptor | Homo sapiens | Ki | = | 47.0 | nM | PMID[455958] |
NPT294 | Individual Protein | Serotonin 6 (5-HT6) receptor | Homo sapiens | IC50 | = | 1689.0 | nM | PMID[455958] |
NPT294 | Individual Protein | Serotonin 6 (5-HT6) receptor | Homo sapiens | Ki | = | 784.0 | nM | PMID[455958] |
NPT1474 | Individual Protein | ATP-dependent Clp protease proteolytic subunit | Bacillus subtilis (strain 168) | Potency | n.a. | 14125.4 | nM | PMID[455953] |
NPT3060 | Individual Protein | Dual specificity phosphatase Cdc25A | Homo sapiens | IC50 | = | 22300.0 | nM | PMID[455962] |
NPT1779 | Individual Protein | Serotonin 2b (5-HT2b) receptor | Rattus norvegicus | pKb | = | 7.74 | n.a. | PMID[455963] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 9441.1 | nM | PMID[455964] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Inhibition | = | -5.0 | % | PMID[455966] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 3.1 | nM | PMID[455966] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | IC50 | = | 8.4 | nM | PMID[455966] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 28.84 | nM | PMID[455968] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 3.2 | nM | PMID[455968] |
NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | n.a. | 2393.4 | nM | PMID[455952] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 0.5 | nM | PMID[455969] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 0.5 | nM | PMID[455971] |
NPT265 | Individual Protein | Muscarinic acetylcholine receptor M4 | Homo sapiens | Inhibition | = | 4.0 | % | PMID[455976] |
NPT232 | Individual Protein | Cannabinoid CB1 receptor | Homo sapiens | Inhibition | = | 35.0 | % | PMID[455976] |
NPT1287 | Individual Protein | Cannabinoid CB2 receptor | Homo sapiens | Inhibition | = | 20.0 | % | PMID[455976] |
NPT243 | Individual Protein | Dopamine D2 receptor | Homo sapiens | Inhibition | = | 102.0 | % | PMID[455976] |
NPT5390 | Individual Protein | Formyl peptide receptor 1 | Homo sapiens | Inhibition | = | -6.0 | % | PMID[455976] |
NPT6197 | Individual Protein | Glucose-dependent insulinotropic receptor | Homo sapiens | Inhibition | = | 8.0 | % | PMID[455976] |
NPT251 | Individual Protein | Histamine H1 receptor | Homo sapiens | Inhibition | = | 30.0 | % | PMID[455976] |
NPT1416 | Individual Protein | Neuropeptide S receptor | Homo sapiens | Inhibition | = | -3.0 | % | PMID[455976] |
NPT5622 | Individual Protein | Prolactin-releasing peptide receptor | Homo sapiens | Inhibition | = | 1.0 | % | PMID[455976] |
NPT1015 | Individual Protein | Prostanoid IP receptor | Homo sapiens | Inhibition | = | 8.0 | % | PMID[455976] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Ki | = | 3.13 | nM | PMID[455977] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Ki | = | 1.16 | nM | PMID[455977] |
NPT224 | Individual Protein | Alpha-2c adrenergic receptor | Homo sapiens | Ki | = | 0.8 | nM | PMID[455977] |
NPT1789 | Individual Protein | Alpha-1b adrenergic receptor | Homo sapiens | Inhibition | = | 90.0 | % | PMID[455979] |
NPT223 | Individual Protein | Alpha-2b adrenergic receptor | Homo sapiens | Inhibition | = | 107.0 | % | PMID[455979] |
NPT1647 | Individual Protein | Vasopressin V2 receptor | Homo sapiens | Inhibition | = | -1.0 | % | PMID[455979] |
NPT243 | Individual Protein | Dopamine D2 receptor | Homo sapiens | Inhibition | = | 102.0 | % | PMID[455979] |
NPT5621 | Individual Protein | Follicle stimulating hormone receptor | Homo sapiens | Inhibition | = | 4.0 | % | PMID[455979] |
NPT292 | Individual Protein | Serotonin 2c (5-HT2c) receptor | Homo sapiens | Inhibition | = | 1.0 | % | PMID[455979] |
NPT5015 | Individual Protein | Oxytocin receptor | Homo sapiens | Inhibition | = | 5.0 | % | PMID[455979] |
NPT5622 | Individual Protein | Prolactin-releasing peptide receptor | Homo sapiens | Inhibition | = | 1.0 | % | PMID[455979] |
NPT222 | Individual Protein | Alpha-2a adrenergic receptor | Homo sapiens | Inhibition | = | 92.0 | % | PMID[455979] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 630.96 | nM | PMID[455902] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 19.95 | nM | PMID[455902] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Ratio | = | 0.032 | n.a. | PMID[455902] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 67.0 | nM | PMID[455903] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | IC50 | = | 1580.0 | nM | PMID[455903] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 0.56 | mg.kg-1 | PMID[455903] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 1.23 | mg.kg-1 | PMID[455903] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 1905.46 | nM | PMID[455904] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 147.91 | nM | PMID[455904] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | pC30 | = | 8.1 | n.a. | PMID[455904] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | IC50 | = | 1300.0 | nM | PMID[455904] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 165.0 | nM | PMID[455904] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity index | = | -1.11 | n.a. | PMID[455904] |
NPT2 | Others | Unspecified | Selectivity index | = | -1.7 | n.a. | PMID[455904] | |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity index | = | -0.89 | n.a. | PMID[455904] |
NPT27 | Others | Unspecified | Binding energy | = | 11.9 | kCal mol-1 | PMID[455905] | |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Ki | = | 398.11 | nM | PMID[455906] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 12.59 | nM | PMID[455906] |
NPT938 | Organism | Cavia porcellus | Cavia porcellus | Kd | = | 12.59 | nM | PMID[455906] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | ID50 | = | 0.185 | mg.kg-1 | PMID[455906] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | ID50 | = | 2.8 | mg.kg-1 | PMID[455906] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity ratio | = | 32.0 | n.a. | PMID[455906] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 8.0 | nM | PMID[455907] |
NPT2 | Others | Unspecified | Selectivity | = | 4.8 | n.a. | PMID[455908] | |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 7.244 | nM | PMID[455909] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 323.59 | nM | PMID[455909] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Selectivity | = | 44.7 | n.a. | PMID[455909] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 30.0 | nM | PMID[455910] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 0.9 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 1.8 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 3.0 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 4.0 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 3.8 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 1.0 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 5.0 | nM | PMID[455911] |
NPT3050 | Protein Family | Alpha-2 adrenergic receptor | Mus musculus | Ki | = | 0.6 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 4.1 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 8.7 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 0.4 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 0.6 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 0.6 | nM | PMID[455911] |
NPT3050 | Protein Family | Alpha-2 adrenergic receptor | Mus musculus | Ki | = | 3.8 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 2.4 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 33.0 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 35.0 | nM | PMID[455911] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 70.0 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 54.0 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 104.0 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 52.0 | nM | PMID[455911] |
NPT3050 | Protein Family | Alpha-2 adrenergic receptor | Mus musculus | Ki | = | 54.0 | nM | PMID[455911] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 19.05 | nM | PMID[455912] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 89.13 | nM | PMID[455912] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 43.65 | nM | PMID[455912] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 25.7 | nM | PMID[455912] |
NPT970 | Protein Family | Adrenergic receptor alpha-1 | Homo sapiens | Kd | = | 147.91 | nM | PMID[455912] |
NPT970 | Protein Family | Adrenergic receptor alpha-1 | Homo sapiens | Relative potency | = | 1.0 | n.a. | PMID[455912] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity | = | 4.7 | n.a. | PMID[455912] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 26.3 | nM | PMID[455913] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 263.03 | nM | PMID[455913] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Ratio | = | 10.0 | n.a. | PMID[455913] |
NPT1774 | Protein Family | Sodium channel alpha subunits; brain (Types I, II, III) | Homo sapiens | IC50 | = | 33000.0 | nM | PMID[455914] |
NPT1774 | Protein Family | Sodium channel alpha subunits; brain (Types I, II, III) | Homo sapiens | Inhibition | = | 25.6 | % | PMID[455914] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 78.0 | nM | PMID[455915] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 12.3 | nM | PMID[455915] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Ki | = | 398.11 | nM | PMID[455916] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 12.59 | nM | PMID[455916] |
NPT970 | Protein Family | Adrenergic receptor alpha-1 | Homo sapiens | Kd | = | 794.33 | nM | PMID[455916] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 31.62 | nM | PMID[455916] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | ID50 | = | 0.185 | mg.kg-1 | PMID[455916] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | ID50 | = | 2.8 | mg.kg-1 | PMID[455916] |
NPT2 | Others | Unspecified | Selectivity | = | 32.0 | n.a. | PMID[455916] | |
NPT2 | Others | Unspecified | Selectivity | = | 25.0 | n.a. | PMID[455916] | |
NPT2 | Others | Unspecified | Ratio | = | 15.0 | n.a. | PMID[455916] | |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 150.0 | nM | PMID[455919] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | > | 8.0 | mg.kg-1 | PMID[455920] |
NPT3052 | Protein Family | Dopamine receptor | Rattus norvegicus | Ki | = | 2000.0 | nM | PMID[455921] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Ki | = | 360.0 | nM | PMID[455921] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 45.0 | nM | PMID[455921] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 48.0 | nM | PMID[455921] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Ki | = | 398.11 | nM | PMID[455922] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 12.59 | nM | PMID[455922] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 56.23 | nM | PMID[455922] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity ratio | = | 32.0 | n.a. | PMID[455922] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ratio | = | 0.2 | n.a. | PMID[455922] |
NPT2 | Others | Unspecified | Ki | = | 49.0 | nM | PMID[455923] | |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 22.39 | nM | PMID[455923] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 302.0 | nM | PMID[455923] |
NPT2 | Others | Unspecified | Selectivity ratio | = | 4.5 | n.a. | PMID[455923] | |
NPT2 | Others | Unspecified | Selectivity ratio | = | 14.0 | n.a. | PMID[455923] | |
NPT2 | Others | Unspecified | Ratio | = | 13.5 | n.a. | PMID[455924] | |
NPT3055 | Others | Serotonin receptor (2b and 2c) | Homo sapiens | Ratio | = | 83.0 | n.a. | PMID[455924] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Ki | = | 505.0 | nM | PMID[455925] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 19.5 | nM | PMID[455926] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 616.6 | nM | PMID[455926] |
NPT2 | Others | Unspecified | Selectivity ratio | = | 31.6 | n.a. | PMID[455926] | |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 9.1 | nM | PMID[455927] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | IC50 | = | 1000.0 | nM | PMID[455927] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 25.7 | nM | PMID[455927] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 346.74 | nM | PMID[455927] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 30.0 | nM | PMID[455928] |
NPT605 | Organism | Homo sapiens | Homo sapiens | IC50 | = | 1100.0 | nM | PMID[455929] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 84.0 | nM | PMID[455930] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 12.3 | nM | PMID[455930] |
NPT32 | Organism | Mus musculus | Mus musculus | ED50 | = | 0.6 | mg.kg-1 | PMID[455930] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 190.0 | nM | PMID[455930] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 123.03 | nM | PMID[455930] |
NPT3050 | Protein Family | Alpha-2 adrenergic receptor | Mus musculus | Kd | = | 10.47 | nM | PMID[455931] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 302.0 | nM | PMID[455931] |
NPT2 | Others | Unspecified | Ratio | = | 29.0 | n.a. | PMID[455931] | |
NPT35 | Others | n.a. | Log Kmemb | = | 0.5 | n.a. | PMID[455932] | |
NPT2 | Others | Unspecified | Hill coefficient | = | 0.97 | n.a. | PMID[455933] | |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Kd | = | 22.39 | nM | PMID[455934] |
NPT968 | Protein Family | Adrenergic receptor alpha-1 | Rattus norvegicus | Kd | = | 302.0 | nM | PMID[455934] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | AD50 | = | 1.04 | mg kg-1 | PMID[455934] |
NPT23085 | PROTEIN FAMILY | Cerebral cortex alpha adrenergic receptor | Bos taurus | Selectivity ratio | = | 4.5 | n.a. | PMID[455934] |
NPT972 | Protein Family | Adrenergic receptor alpha | Rattus norvegicus | Selectivity ratio | = | 14.0 | n.a. | PMID[455934] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 195000.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 170.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 398000.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 1800.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 47000.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 2300.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 60.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 120.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 5400000.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 150000.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 4800.0 | nM | PMID[455935] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Kd | = | 62000.0 | nM | PMID[455935] |
NPT419 | Organism | Oryctolagus cuniculus | Oryctolagus cuniculus | Kb | = | 4000.0 | nM | PMID[455936] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | Ki | = | 10.0 | nM | PMID[455937] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Kd | = | 22.39 | nM | PMID[455937] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Kd | = | 302.0 | nM | PMID[455937] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | ED50 | = | 1.04 | mg.kg-1 | PMID[455937] |
NPT2 | Others | Unspecified | Selectivity | = | 22.0 | n.a. | PMID[455937] | |
NPT2 | Others | Unspecified | Selectivity | = | 14.0 | n.a. | PMID[455937] | |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 95.0 | nM | PMID[455941] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 35.9 | n.a. | PMID[455942] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 15.8 | n.a. | PMID[455942] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 28.5 | n.a. | PMID[455942] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 27.8 | n.a. | PMID[455942] |
NPT32 | Organism | Mus musculus | Mus musculus | Activity | = | 31.7 | n.a. | PMID[455943] |
NPT2 | Others | Unspecified | Kb | < | 100.0 | nM | PMID[455944] | |
NPT2 | Others | Unspecified | Kb | > | 300.0 | nM | PMID[455944] | |
NPT2 | Others | Unspecified | IC50 | = | 100.0 | nM | PMID[455946] | |
NPT2 | Others | Unspecified | Ki | = | 43.0 | nM | PMID[455946] | |
NPT2 | Others | Unspecified | IC50 | = | 125000.0 | nM | PMID[455947] | |
NPT2 | Others | Unspecified | IC50 | = | 38.0 | nM | PMID[455950] | |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | Potency | = | 23109.3 | nM | PMID[455952] |
NPT795 | Individual Protein | Zinc finger protein mex-5 | Caenorhabditis elegans | EC50 | = | 103486.0 | nM | PMID[455953] |
NPT2 | Others | Unspecified | EC50 | > | 110000.0 | nM | PMID[455953] | |
NPT940 | Individual Protein | Serine/threonine-protein kinase mTOR | Homo sapiens | Potency | = | 14689.2 | nM | PMID[455952] |
NPT797 | Individual Protein | Cytoplasmic zinc-finger protein | Caenorhabditis elegans | EC50 | > | 300000.0 | nM | PMID[455953] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 58.0 | nM | PMID[455954] |
NPT2 | Others | Unspecified | Ki | = | 33.0 | nM | PMID[455956] | |
NPT21702 | PROTEIN-PROTEIN INTERACTION | Importin subunit beta-1/Snurportin-1 | Homo sapiens | Potency | n.a. | 112201.8 | nM | PMID[455953] |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | n.a. | 2117.2 | nM | PMID[455952] |
NPT2 | Others | Unspecified | Potency | n.a. | 10000.0 | nM | PMID[455953] | |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Papp | = | 429.0 | nm/s | PMID[455957] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Papp | = | 501.0 | nm/s | PMID[455957] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Ratio_Papp | = | 1.17 | n.a. | PMID[455957] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | Ratio_ATPase activity | = | 1.05 | n.a. | PMID[455957] |
NPT668 | Individual Protein | P-glycoprotein 1 | Homo sapiens | % maximum response | = | 4.23 | % | PMID[455957] |
NPT2 | Others | Unspecified | IC50 | = | 157.0 | nM | PMID[455958] | |
NPT2 | Others | Unspecified | Ki | = | 105.0 | nM | PMID[455958] | |
NPT433 | Subcellular | Liver microsomes | Homo sapiens | CL | = | 34.4 | mL.min-1.g-1 | PMID[455959] |
NPT2 | Others | Unspecified | Potency | n.a. | 316.2 | nM | PMID[455953] | |
NPT755 | Individual Protein | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Homo sapiens | Potency | n.a. | 35481.3 | nM | PMID[455953] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 36.0 | nM | PMID[455965] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | Ki | = | 25.0 | nM | PMID[455967] |
NPT971 | Protein Family | Adrenergic receptor alpha-2 | Homo sapiens | IC50 | = | 58.0 | nM | PMID[455967] |
NPT35 | Others | n.a. | LogD7.4 | n.a. | 1.65 | n.a. | PMID[455970] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 39810.7 | nM | PMID[455972] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 0.631 | uM | PMID[455972] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 39.81 | uM | PMID[455972] | |
NPT2 | Others | Unspecified | Ac50 | n.a. | 0.7079 | uM | PMID[455972] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 631.0 | nM | PMID[455972] | |
NPT2 | Others | Unspecified | AC50 | n.a. | 707.9 | nM | PMID[455972] | |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 96.0 | nM | PMID[455973] |
NPT969 | Protein Family | Adrenergic receptor alpha-2 | Rattus norvegicus | IC50 | = | 96.0 | nM | PMID[455974] |
NPT713 | Individual Protein | Bile salt export pump | Homo sapiens | IC50 | = | 254000.0 | nM | PMID[455975] |
NPT23088 | SINGLE PROTEIN | C-C chemokine receptor type 8 | Homo sapiens | Inhibition | = | 5.0 | % | PMID[455976] |
NPT23089 | SINGLE PROTEIN | C-X-C chemokine receptor type 4 | Homo sapiens | Inhibition | = | 21.0 | % | PMID[455976] |
NPT21843 | SINGLE PROTEIN | Orexin receptor 2 | Homo sapiens | Inhibition | = | 9.0 | % | PMID[455976] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 20000.0 | nM | PMID[455978] |
NPT20555 | ORGANISM | SARS-CoV-2 | Severe acute respiratory syndrome coronavirus 2 | IC50 | > | 19952.62 | nM | PMID[455978] |
NPT22722 | SINGLE PROTEIN | C-C chemokine receptor type 3 | Homo sapiens | Inhibition | = | -13.0 | % | PMID[455979] |
NPT23088 | SINGLE PROTEIN | C-C chemokine receptor type 8 | Homo sapiens | Inhibition | = | 5.0 | % | PMID[455979] |
NPT23094 | SINGLE PROTEIN | C-X3-C chemokine receptor 1 | Homo sapiens | Inhibition | = | 22.0 | % | PMID[455979] |
NPT23089 | SINGLE PROTEIN | C-X-C chemokine receptor type 4 | Homo sapiens | Inhibition | = | 21.0 | % | PMID[455979] |
NPT973 | Individual Protein | Serotonin 1b (5-HT1b) receptor | Homo sapiens | Inhibition | = | 86.0 | % | PMID[455979] |
NPT2 | Others | Unspecified | Inhibition | = | -3.0 | % | PMID[455979] | |
NPT2 | Others | Unspecified | Potency | n.a. | 26603.2 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 23710.1 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 18833.6 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 33491.5 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | n.a. | 8412.7 | nM | PubChem BioAssay data set |
☑ Note for Activity Records:
☉ The quantitative biological activities were primarily integrated from ChEMBL (Version-30) database and were also directly collected from PubMed literature. PubMed PMID was provided as the reference link for each activity record.
Top-200 similar NPs were calculated against the active-NP-set (includes 4,3285 NPs with experimentally-derived bioactivity available in NPASS)
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient
●  The left chart: Distribution of similarity level between NPC49196 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Natural Product ID |
---|---|---|
1.0 | High Similarity | NPC81654 |
1.0 | High Similarity | NPC79129 |
1.0 | High Similarity | NPC313985 |
1.0 | High Similarity | NPC195461 |
1.0 | High Similarity | NPC249150 |
0.9887 | High Similarity | NPC50503 |
0.9435 | High Similarity | NPC175474 |
0.9235 | High Similarity | NPC52557 |
0.8696 | High Similarity | NPC111602 |
0.8696 | High Similarity | NPC63199 |
0.8696 | High Similarity | NPC102338 |
0.8696 | High Similarity | NPC196251 |
0.8649 | High Similarity | NPC472112 |
0.8626 | High Similarity | NPC472108 |
0.8626 | High Similarity | NPC139291 |
0.8556 | High Similarity | NPC472113 |
0.8541 | High Similarity | NPC472323 |
0.8534 | High Similarity | NPC312870 |
0.8534 | High Similarity | NPC128265 |
0.8534 | High Similarity | NPC199851 |
0.8534 | High Similarity | NPC294909 |
0.8534 | High Similarity | NPC254240 |
0.852 | High Similarity | NPC234999 |
0.8516 | High Similarity | NPC15840 |
0.8462 | Intermediate Similarity | NPC219336 |
0.8446 | Intermediate Similarity | NPC162730 |
0.8444 | Intermediate Similarity | NPC472123 |
0.8432 | Intermediate Similarity | NPC79062 |
0.8432 | Intermediate Similarity | NPC472107 |
0.8415 | Intermediate Similarity | NPC469896 |
0.8407 | Intermediate Similarity | NPC183662 |
0.8407 | Intermediate Similarity | NPC217372 |
0.8407 | Intermediate Similarity | NPC15573 |
0.8368 | Intermediate Similarity | NPC85066 |
0.8368 | Intermediate Similarity | NPC181502 |
0.8351 | Intermediate Similarity | NPC474116 |
0.8342 | Intermediate Similarity | NPC475778 |
0.8325 | Intermediate Similarity | NPC245916 |
0.8324 | Intermediate Similarity | NPC472110 |
0.8324 | Intermediate Similarity | NPC472109 |
0.828 | Intermediate Similarity | NPC472119 |
0.8278 | Intermediate Similarity | NPC317430 |
0.8276 | Intermediate Similarity | NPC52254 |
0.8272 | Intermediate Similarity | NPC19692 |
0.8272 | Intermediate Similarity | NPC220151 |
0.8254 | Intermediate Similarity | NPC329858 |
0.8226 | Intermediate Similarity | NPC143533 |
0.8212 | Intermediate Similarity | NPC271797 |
0.8212 | Intermediate Similarity | NPC21174 |
0.8197 | Intermediate Similarity | NPC329688 |
0.8197 | Intermediate Similarity | NPC189812 |
0.8182 | Intermediate Similarity | NPC258480 |
0.8168 | Intermediate Similarity | NPC55493 |
0.8158 | Intermediate Similarity | NPC469501 |
0.8158 | Intermediate Similarity | NPC314333 |
0.8158 | Intermediate Similarity | NPC469470 |
0.8152 | Intermediate Similarity | NPC24594 |
0.8152 | Intermediate Similarity | NPC472122 |
0.8137 | Intermediate Similarity | NPC82070 |
0.8128 | Intermediate Similarity | NPC476114 |
0.8128 | Intermediate Similarity | NPC19679 |
0.8103 | Intermediate Similarity | NPC241024 |
0.8095 | Intermediate Similarity | NPC66210 |
0.8083 | Intermediate Similarity | NPC289299 |
0.8083 | Intermediate Similarity | NPC57994 |
0.8049 | Intermediate Similarity | NPC281049 |
0.8049 | Intermediate Similarity | NPC174788 |
0.8048 | Intermediate Similarity | NPC33949 |
0.804 | Intermediate Similarity | NPC18661 |
0.8032 | Intermediate Similarity | NPC472104 |
0.8031 | Intermediate Similarity | NPC472295 |
0.8031 | Intermediate Similarity | NPC81802 |
0.8031 | Intermediate Similarity | NPC472210 |
0.8031 | Intermediate Similarity | NPC247735 |
0.8031 | Intermediate Similarity | NPC269886 |
0.8029 | Intermediate Similarity | NPC475271 |
0.8021 | Intermediate Similarity | NPC472105 |
0.8021 | Intermediate Similarity | NPC187827 |
0.8021 | Intermediate Similarity | NPC472097 |
0.8 | Intermediate Similarity | NPC478077 |
0.7979 | Intermediate Similarity | NPC113626 |
0.7968 | Intermediate Similarity | NPC213468 |
0.7941 | Intermediate Similarity | NPC221100 |
0.7941 | Intermediate Similarity | NPC234078 |
0.7921 | Intermediate Similarity | NPC469743 |
0.7921 | Intermediate Similarity | NPC478158 |
0.7914 | Intermediate Similarity | NPC326575 |
0.791 | Intermediate Similarity | NPC477065 |
0.7906 | Intermediate Similarity | NPC235684 |
0.7906 | Intermediate Similarity | NPC62749 |
0.7889 | Intermediate Similarity | NPC476874 |
0.7879 | Intermediate Similarity | NPC214428 |
0.7876 | Intermediate Similarity | NPC95783 |
0.7864 | Intermediate Similarity | NPC330009 |
0.7864 | Intermediate Similarity | NPC148183 |
0.7864 | Intermediate Similarity | NPC152768 |
0.7864 | Intermediate Similarity | NPC469928 |
0.7861 | Intermediate Similarity | NPC267885 |
0.7857 | Intermediate Similarity | NPC472116 |
0.7849 | Intermediate Similarity | NPC161861 |
0.7831 | Intermediate Similarity | NPC91179 |
0.782 | Intermediate Similarity | NPC21638 |
0.7819 | Intermediate Similarity | NPC234987 |
0.7816 | Intermediate Similarity | NPC478157 |
0.7812 | Intermediate Similarity | NPC315555 |
0.7812 | Intermediate Similarity | NPC99428 |
0.7807 | Intermediate Similarity | NPC110500 |
0.7807 | Intermediate Similarity | NPC149155 |
0.7807 | Intermediate Similarity | NPC203468 |
0.7789 | Intermediate Similarity | NPC249040 |
0.7784 | Intermediate Similarity | NPC206967 |
0.7784 | Intermediate Similarity | NPC78020 |
0.7784 | Intermediate Similarity | NPC154293 |
0.7778 | Intermediate Similarity | NPC126709 |
0.7778 | Intermediate Similarity | NPC248041 |
0.7778 | Intermediate Similarity | NPC133261 |
0.7772 | Intermediate Similarity | NPC277350 |
0.7761 | Intermediate Similarity | NPC476098 |
0.7756 | Intermediate Similarity | NPC204303 |
0.7737 | Intermediate Similarity | NPC300688 |
0.7736 | Intermediate Similarity | NPC235885 |
0.7732 | Intermediate Similarity | NPC321708 |
0.7725 | Intermediate Similarity | NPC14113 |
0.7725 | Intermediate Similarity | NPC145885 |
0.7725 | Intermediate Similarity | NPC84827 |
0.7723 | Intermediate Similarity | NPC185742 |
0.7723 | Intermediate Similarity | NPC475847 |
0.7707 | Intermediate Similarity | NPC475422 |
0.7704 | Intermediate Similarity | NPC472292 |
0.7696 | Intermediate Similarity | NPC87755 |
0.7692 | Intermediate Similarity | NPC203614 |
0.7692 | Intermediate Similarity | NPC204491 |
0.7684 | Intermediate Similarity | NPC55772 |
0.7684 | Intermediate Similarity | NPC283219 |
0.7681 | Intermediate Similarity | NPC54744 |
0.768 | Intermediate Similarity | NPC119700 |
0.7677 | Intermediate Similarity | NPC231342 |
0.7673 | Intermediate Similarity | NPC165599 |
0.766 | Intermediate Similarity | NPC97525 |
0.7659 | Intermediate Similarity | NPC162860 |
0.7653 | Intermediate Similarity | NPC243716 |
0.765 | Intermediate Similarity | NPC473105 |
0.7644 | Intermediate Similarity | NPC313640 |
0.7637 | Intermediate Similarity | NPC285469 |
0.7633 | Intermediate Similarity | NPC75634 |
0.7632 | Intermediate Similarity | NPC111275 |
0.7632 | Intermediate Similarity | NPC151939 |
0.763 | Intermediate Similarity | NPC472099 |
0.7617 | Intermediate Similarity | NPC165201 |
0.7617 | Intermediate Similarity | NPC472294 |
0.7609 | Intermediate Similarity | NPC81229 |
0.7609 | Intermediate Similarity | NPC255229 |
0.7604 | Intermediate Similarity | NPC475720 |
0.7604 | Intermediate Similarity | NPC302191 |
0.7604 | Intermediate Similarity | NPC71037 |
0.7604 | Intermediate Similarity | NPC474192 |
0.7598 | Intermediate Similarity | NPC238457 |
0.7596 | Intermediate Similarity | NPC472291 |
0.7588 | Intermediate Similarity | NPC472293 |
0.7586 | Intermediate Similarity | NPC476115 |
0.7581 | Intermediate Similarity | NPC470508 |
0.7574 | Intermediate Similarity | NPC475506 |
0.7568 | Intermediate Similarity | NPC16667 |
0.7562 | Intermediate Similarity | NPC472297 |
0.7562 | Intermediate Similarity | NPC472296 |
0.7561 | Intermediate Similarity | NPC474905 |
0.7561 | Intermediate Similarity | NPC54420 |
0.7558 | Intermediate Similarity | NPC14288 |
0.7552 | Intermediate Similarity | NPC198339 |
0.7538 | Intermediate Similarity | NPC474121 |
0.7537 | Intermediate Similarity | NPC193761 |
0.7537 | Intermediate Similarity | NPC155143 |
0.7536 | Intermediate Similarity | NPC96321 |
0.7536 | Intermediate Similarity | NPC473041 |
0.7526 | Intermediate Similarity | NPC228835 |
0.7523 | Intermediate Similarity | NPC64216 |
0.7522 | Intermediate Similarity | NPC284685 |
0.7512 | Intermediate Similarity | NPC477175 |
0.7512 | Intermediate Similarity | NPC470730 |
0.7512 | Intermediate Similarity | NPC102008 |
0.7512 | Intermediate Similarity | NPC306376 |
0.7512 | Intermediate Similarity | NPC2395 |
0.7512 | Intermediate Similarity | NPC322135 |
0.7511 | Intermediate Similarity | NPC470784 |
0.75 | Intermediate Similarity | NPC11445 |
0.75 | Intermediate Similarity | NPC201700 |
0.75 | Intermediate Similarity | NPC261251 |
0.75 | Intermediate Similarity | NPC98715 |
0.7489 | Intermediate Similarity | NPC191489 |
0.7488 | Intermediate Similarity | NPC271862 |
0.7488 | Intermediate Similarity | NPC305984 |
0.7488 | Intermediate Similarity | NPC477548 |
0.7488 | Intermediate Similarity | NPC312645 |
0.7488 | Intermediate Similarity | NPC300183 |
0.7486 | Intermediate Similarity | NPC207726 |
0.7477 | Intermediate Similarity | NPC475816 |
0.7477 | Intermediate Similarity | NPC475969 |
0.7477 | Intermediate Similarity | NPC475859 |
0.7476 | Intermediate Similarity | NPC244741 |
0.7476 | Intermediate Similarity | NPC323927 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC49196 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
1.0 | High Similarity | NPD4601 | Approved |
1.0 | High Similarity | NPD4600 | Approved |
0.8534 | High Similarity | NPD4500 | Approved |
0.8534 | High Similarity | NPD4501 | Approved |
0.8158 | Intermediate Similarity | NPD4499 | Approved |
0.8083 | Intermediate Similarity | NPD4602 | Approved |
0.8071 | Intermediate Similarity | NPD5721 | Clinical (unspecified phase) |
0.8021 | Intermediate Similarity | NPD6630 | Clinical (unspecified phase) |
0.8 | Intermediate Similarity | NPD5003 | Discontinued |
0.795 | Intermediate Similarity | NPD7957 | Phase 1 |
0.795 | Intermediate Similarity | NPD7958 | Clinical (unspecified phase) |
0.7919 | Intermediate Similarity | NPD6661 | Clinical (unspecified phase) |
0.7842 | Intermediate Similarity | NPD5728 | Clinical (unspecified phase) |
0.7816 | Intermediate Similarity | NPD8112 | Clinical (unspecified phase) |
0.7807 | Intermediate Similarity | NPD482 | Approved |
0.7766 | Intermediate Similarity | NPD749 | Clinical (unspecified phase) |
0.7749 | Intermediate Similarity | NPD2095 | Phase 2 |
0.7749 | Intermediate Similarity | NPD2092 | Phase 2 |
0.7749 | Intermediate Similarity | NPD2094 | Phase 2 |
0.7718 | Intermediate Similarity | NPD7594 | Clinical (unspecified phase) |
0.7708 | Intermediate Similarity | NPD2096 | Phase 2 |
0.7708 | Intermediate Similarity | NPD2091 | Phase 2 |
0.7696 | Intermediate Similarity | NPD7947 | Clinical (unspecified phase) |
0.7692 | Intermediate Similarity | NPD2564 | Approved |
0.7692 | Intermediate Similarity | NPD2565 | Phase 2 |
0.7688 | Intermediate Similarity | NPD2844 | Phase 3 |
0.7676 | Intermediate Similarity | NPD5744 | Clinical (unspecified phase) |
0.766 | Intermediate Similarity | NPD750 | Phase 2 |
0.7644 | Intermediate Similarity | NPD5898 | Approved |
0.7644 | Intermediate Similarity | NPD5899 | Approved |
0.7644 | Intermediate Similarity | NPD5897 | Approved |
0.7606 | Intermediate Similarity | NPD6739 | Clinical (unspecified phase) |
0.7573 | Intermediate Similarity | NPD4520 | Approved |
0.7549 | Intermediate Similarity | NPD8114 | Approved |
0.7549 | Intermediate Similarity | NPD5426 | Phase 3 |
0.7549 | Intermediate Similarity | NPD5901 | Discontinued |
0.7549 | Intermediate Similarity | NPD8115 | Approved |
0.7538 | Intermediate Similarity | NPD7944 | Discontinued |
0.7526 | Intermediate Similarity | NPD6178 | Phase 3 |
0.7522 | Intermediate Similarity | NPD7955 | Approved |
0.7522 | Intermediate Similarity | NPD7956 | Approved |
0.7512 | Intermediate Similarity | NPD7777 | Approved |
0.7512 | Intermediate Similarity | NPD7778 | Approved |
0.7512 | Intermediate Similarity | NPD4862 | Clinical (unspecified phase) |
0.7512 | Intermediate Similarity | NPD4397 | Phase 1 |
0.7512 | Intermediate Similarity | NPD53 | Approved |
0.75 | Intermediate Similarity | NPD7470 | Discontinued |
0.7489 | Intermediate Similarity | NPD7708 | Approved |
0.7462 | Intermediate Similarity | NPD7233 | Approved |
0.7462 | Intermediate Similarity | NPD7234 | Approved |
0.7452 | Intermediate Similarity | NPD7998 | Clinical (unspecified phase) |
0.744 | Intermediate Similarity | NPD2916 | Discontinued |
0.7419 | Intermediate Similarity | NPD7730 | Approved |
0.7419 | Intermediate Similarity | NPD7731 | Approved |
0.7415 | Intermediate Similarity | NPD2920 | Discontinued |
0.7409 | Intermediate Similarity | NPD7952 | Approved |
0.7409 | Intermediate Similarity | NPD7950 | Approved |
0.7409 | Intermediate Similarity | NPD7789 | Approved |
0.7409 | Intermediate Similarity | NPD7953 | Approved |
0.7409 | Intermediate Similarity | NPD7791 | Approved |
0.7409 | Intermediate Similarity | NPD7790 | Approved |
0.7409 | Intermediate Similarity | NPD7951 | Approved |
0.7407 | Intermediate Similarity | NPD7271 | Approved |
0.7391 | Intermediate Similarity | NPD6838 | Clinical (unspecified phase) |
0.7389 | Intermediate Similarity | NPD6248 | Phase 2 |
0.7389 | Intermediate Similarity | NPD6249 | Phase 2 |
0.7382 | Intermediate Similarity | NPD43 | Approved |
0.7382 | Intermediate Similarity | NPD6182 | Approved |
0.7382 | Intermediate Similarity | NPD4112 | Clinical (unspecified phase) |
0.7382 | Intermediate Similarity | NPD6183 | Clinical (unspecified phase) |
0.7374 | Intermediate Similarity | NPD4334 | Discontinued |
0.7374 | Intermediate Similarity | NPD1534 | Approved |
0.7371 | Intermediate Similarity | NPD5473 | Discontinued |
0.7368 | Intermediate Similarity | NPD1325 | Approved |
0.7368 | Intermediate Similarity | NPD1326 | Approved |
0.7364 | Intermediate Similarity | NPD4885 | Approved |
0.7362 | Intermediate Similarity | NPD7803 | Approved |
0.7358 | Intermediate Similarity | NPD3393 | Approved |
0.7358 | Intermediate Similarity | NPD3394 | Approved |
0.7358 | Intermediate Similarity | NPD3389 | Approved |
0.7352 | Intermediate Similarity | NPD7824 | Approved |
0.7333 | Intermediate Similarity | NPD8013 | Clinical (unspecified phase) |
0.733 | Intermediate Similarity | NPD8072 | Approved |
0.732 | Intermediate Similarity | NPD4076 | Approved |
0.732 | Intermediate Similarity | NPD4079 | Approved |
0.731 | Intermediate Similarity | NPD6610 | Clinical (unspecified phase) |
0.7306 | Intermediate Similarity | NPD6375 | Clinical (unspecified phase) |
0.7304 | Intermediate Similarity | NPD7621 | Clinical (unspecified phase) |
0.7291 | Intermediate Similarity | NPD6664 | Approved |
0.7282 | Intermediate Similarity | NPD6595 | Phase 3 |
0.7277 | Intermediate Similarity | NPD7618 | Phase 3 |
0.7277 | Intermediate Similarity | NPD4184 | Clinical (unspecified phase) |
0.7277 | Intermediate Similarity | NPD7619 | Phase 3 |
0.7268 | Intermediate Similarity | NPD3505 | Approved |
0.7268 | Intermediate Similarity | NPD3506 | Approved |
0.7268 | Intermediate Similarity | NPD6479 | Discontinued |
0.726 | Intermediate Similarity | NPD4901 | Clinical (unspecified phase) |
0.7255 | Intermediate Similarity | NPD4987 | Clinical (unspecified phase) |
0.7254 | Intermediate Similarity | NPD4736 | Clinical (unspecified phase) |
0.7246 | Intermediate Similarity | NPD6176 | Phase 1 |
0.7236 | Intermediate Similarity | NPD8431 | Approved |
0.7233 | Intermediate Similarity | NPD7903 | Clinical (unspecified phase) |
0.7225 | Intermediate Similarity | NPD8493 | Clinical (unspecified phase) |
0.7216 | Intermediate Similarity | NPD2382 | Approved |
0.7216 | Intermediate Similarity | NPD2381 | Approved |
0.7216 | Intermediate Similarity | NPD2380 | Approved |
0.7209 | Intermediate Similarity | NPD7878 | Phase 2 |
0.7208 | Intermediate Similarity | NPD4345 | Clinical (unspecified phase) |
0.7204 | Intermediate Similarity | NPD7809 | Clinical (unspecified phase) |
0.7198 | Intermediate Similarity | NPD8073 | Approved |
0.7194 | Intermediate Similarity | NPD8464 | Clinical (unspecified phase) |
0.719 | Intermediate Similarity | NPD2509 | Approved |
0.719 | Intermediate Similarity | NPD2510 | Approved |
0.719 | Intermediate Similarity | NPD7665 | Phase 2 |
0.719 | Intermediate Similarity | NPD7666 | Phase 3 |
0.7184 | Intermediate Similarity | NPD484 | Approved |
0.7179 | Intermediate Similarity | NPD2144 | Approved |
0.7178 | Intermediate Similarity | NPD4315 | Phase 2 |
0.7176 | Intermediate Similarity | NPD6770 | Approved |
0.7173 | Intermediate Similarity | NPD4554 | Clinical (unspecified phase) |
0.7172 | Intermediate Similarity | NPD3607 | Clinical (unspecified phase) |
0.7165 | Intermediate Similarity | NPD5065 | Approved |
0.7157 | Intermediate Similarity | NPD7818 | Clinical (unspecified phase) |
0.7157 | Intermediate Similarity | NPD3038 | Discontinued |
0.715 | Intermediate Similarity | NPD7817 | Phase 1 |
0.715 | Intermediate Similarity | NPD4948 | Discontinued |
0.715 | Intermediate Similarity | NPD6141 | Clinical (unspecified phase) |
0.715 | Intermediate Similarity | NPD7727 | Phase 2 |
0.7143 | Intermediate Similarity | NPD8322 | Phase 2 |
0.7143 | Intermediate Similarity | NPD8386 | Phase 2 |
0.7136 | Intermediate Similarity | NPD7455 | Approved |
0.7136 | Intermediate Similarity | NPD3800 | Clinical (unspecified phase) |
0.7136 | Intermediate Similarity | NPD4118 | Clinical (unspecified phase) |
0.7136 | Intermediate Similarity | NPD7454 | Approved |
0.7136 | Intermediate Similarity | NPD6657 | Clinical (unspecified phase) |
0.7135 | Intermediate Similarity | NPD5021 | Discontinued |
0.713 | Intermediate Similarity | NPD8405 | Clinical (unspecified phase) |
0.7129 | Intermediate Similarity | NPD5912 | Clinical (unspecified phase) |
0.7129 | Intermediate Similarity | NPD5913 | Phase 3 |
0.7129 | Intermediate Similarity | NPD8272 | Phase 2 |
0.7129 | Intermediate Similarity | NPD3785 | Clinical (unspecified phase) |
0.7128 | Intermediate Similarity | NPD5104 | Approved |
0.7128 | Intermediate Similarity | NPD5501 | Discontinued |
0.7123 | Intermediate Similarity | NPD7825 | Clinical (unspecified phase) |
0.7109 | Intermediate Similarity | NPD6376 | Discontinued |
0.7104 | Intermediate Similarity | NPD6165 | Phase 2 |
0.7104 | Intermediate Similarity | NPD6164 | Phase 2 |
0.7092 | Intermediate Similarity | NPD7865 | Approved |
0.7092 | Intermediate Similarity | NPD6203 | Clinical (unspecified phase) |
0.7092 | Intermediate Similarity | NPD4181 | Approved |
0.7089 | Intermediate Similarity | NPD7070 | Clinical (unspecified phase) |
0.7088 | Intermediate Similarity | NPD4637 | Clinical (unspecified phase) |
0.7085 | Intermediate Similarity | NPD7482 | Phase 2 |
0.7085 | Intermediate Similarity | NPD7483 | Phase 2 |
0.7083 | Intermediate Similarity | NPD8406 | Clinical (unspecified phase) |
0.7081 | Intermediate Similarity | NPD5487 | Phase 1 |
0.7078 | Intermediate Similarity | NPD6995 | Phase 1 |
0.7078 | Intermediate Similarity | NPD6824 | Clinical (unspecified phase) |
0.7075 | Intermediate Similarity | NPD2125 | Clinical (unspecified phase) |
0.7075 | Intermediate Similarity | NPD4506 | Discontinued |
0.7072 | Intermediate Similarity | NPD7781 | Approved |
0.7072 | Intermediate Similarity | NPD7780 | Approved |
0.7071 | Intermediate Similarity | NPD4383 | Clinical (unspecified phase) |
0.7065 | Intermediate Similarity | NPD3961 | Discontinued |
0.7056 | Intermediate Similarity | NPD8358 | Approved |
0.7053 | Intermediate Similarity | NPD6999 | Discontinued |
0.7053 | Intermediate Similarity | NPD7000 | Clinical (unspecified phase) |
0.7045 | Intermediate Similarity | NPD7716 | Approved |
0.7045 | Intermediate Similarity | NPD7717 | Approved |
0.7044 | Intermediate Similarity | NPD2336 | Approved |
0.7043 | Intermediate Similarity | NPD4463 | Approved |
0.7043 | Intermediate Similarity | NPD4462 | Approved |
0.7042 | Intermediate Similarity | NPD4900 | Clinical (unspecified phase) |
0.7039 | Intermediate Similarity | NPD6206 | Phase 1 |
0.7037 | Intermediate Similarity | NPD4326 | Phase 2 |
0.7035 | Intermediate Similarity | NPD5596 | Phase 2 |
0.7031 | Intermediate Similarity | NPD2915 | Discontinued |
0.703 | Intermediate Similarity | NPD8110 | Clinical (unspecified phase) |
0.7021 | Intermediate Similarity | NPD5257 | Clinical (unspecified phase) |
0.7019 | Intermediate Similarity | NPD8248 | Clinical (unspecified phase) |
0.7015 | Intermediate Similarity | NPD5444 | Phase 1 |
0.7009 | Intermediate Similarity | NPD8372 | Clinical (unspecified phase) |
0.7005 | Intermediate Similarity | NPD6641 | Approved |
0.7005 | Intermediate Similarity | NPD7946 | Pre-registration |
0.7005 | Intermediate Similarity | NPD6261 | Phase 3 |
0.7005 | Intermediate Similarity | NPD2882 | Phase 1 |
0.7005 | Intermediate Similarity | NPD6642 | Approved |
0.7 | Intermediate Similarity | NPD2121 | Clinical (unspecified phase) |
0.6995 | Remote Similarity | NPD5835 | Phase 3 |
0.6995 | Remote Similarity | NPD5834 | Phase 3 |
0.6991 | Remote Similarity | NPD7707 | Approved |
0.6983 | Remote Similarity | NPD8364 | Approved |
0.6983 | Remote Similarity | NPD8363 | Approved |
0.6979 | Remote Similarity | NPD3323 | Discontinued |
0.6978 | Remote Similarity | NPD3943 | Clinical (unspecified phase) |
0.6977 | Remote Similarity | NPD8093 | Discontinued |
0.6973 | Remote Similarity | NPD1683 | Approved |
0.6967 | Remote Similarity | NPD6987 | Phase 1 |
0.6967 | Remote Similarity | NPD7712 | Clinical (unspecified phase) |
0.6961 | Remote Similarity | NPD5592 | Clinical (unspecified phase) |
Bioactivity similarity was calculated based on bioactivity descriptors of compounds. The bioactivity descriptors were calculated by a recently developed AI algorithm Chemical Checker (CC) [Nature Biotechnology, 38:1087–1096, 2020; Nature Communications, 12:3932, 2021], which evaluated bioactivity similarities at five levels:
☉ A: chemistry similarity;
☉ B: biological targets similarity;
☉ C: networks similarity;
☉ D: cell-based bioactivity similarity;
☉ E: similarity based on clinical data.
Those 5 categories of CC bioactivity descriptors were calculated and then subjected to manifold projection using UMAP algorithm, to project all NPs on a 2-Dimensional space. The current NP was highlighted with a small circle in the 2-D map. Below figures: left-to-right, A-to-E.