Molecular Weight:   | 208.09 |
Volume:   | 238.582 |
LogP:   | 3.334 |
LogD:   | 3.521 |
LogS:   | -4.631 |
# Rotatable Bonds:   | 3 |
TPSA:   | 17.07 |
# H-Bond Aceptor:   | 1 |
# H-Bond Donor:   | 0 |
# Rings:   | 2 |
# Heavy Atoms:   | 1 |
QED Drug-Likeness Score:   | 0.556 |
Synthetic Accessibility Score:   | 1.456 |
Fsp3:   | 0.0 |
Lipinski Rule-of-5:   | Accepted |
Pfizer Rule:   | Rejected |
GSK Rule:   | Accepted |
BMS Rule:   | 0 |
Golden Triangle Rule:   | Accepted |
Chelating Alert:   | 0 |
PAINS Alert:   | 0 |
Caco-2 Permeability:   | -4.618 |
MDCK Permeability:   | 1.2485596926126163e-05 |
Pgp-inhibitor:   | 0.04 |
Pgp-substrate:   | 0.002 |
Human Intestinal Absorption (HIA):   | 0.012 |
20% Bioavailability (F20%):   | 0.764 |
30% Bioavailability (F30%):   | 0.044 |
Blood-Brain-Barrier Penetration (BBB):   | 0.288 |
Plasma Protein Binding (PPB):   | 99.55098724365234% |
Volume Distribution (VD):   | 0.497 |
Pgp-substrate:   | 1.0424493551254272% |
CYP1A2-inhibitor:   | 0.99 |
CYP1A2-substrate:   | 0.132 |
CYP2C19-inhibitor:   | 0.922 |
CYP2C19-substrate:   | 0.076 |
CYP2C9-inhibitor:   | 0.749 |
CYP2C9-substrate:   | 0.908 |
CYP2D6-inhibitor:   | 0.161 |
CYP2D6-substrate:   | 0.461 |
CYP3A4-inhibitor:   | 0.061 |
CYP3A4-substrate:   | 0.187 |
Clearance (CL):   | 5.631 |
Half-life (T1/2):   | 0.549 |
hERG Blockers:   | 0.115 |
Human Hepatotoxicity (H-HT):   | 0.025 |
Drug-inuced Liver Injury (DILI):   | 0.695 |
AMES Toxicity:   | 0.301 |
Rat Oral Acute Toxicity:   | 0.03 |
Maximum Recommended Daily Dose:   | 0.045 |
Skin Sensitization:   | 0.922 |
Carcinogencity:   | 0.726 |
Eye Corrosion:   | 0.54 |
Eye Irritation:   | 0.995 |
Respiratory Toxicity:   | 0.371 |
Natural Product ID:   | NPC71664 |
Common Name*:   | Chalcone |
IUPAC Name:   | (E)-1,3-diphenylprop-2-en-1-one |
Synonyms:   | (E)-1,3-Diphenyl-propenone |
Standard InCHIKey:   | DQFBYFPFKXHELB-VAWYXSNFSA-N |
Standard InCHI:   | InChI=1S/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+ |
SMILES:   | O=C(c1ccccc1)/C=C/c1ccccc1 |
Synthetic Gene Cluster:   | n.a. |
ChEMBL Identifier:   | CHEMBL7976 |
PubChem CID:   |
637760 |
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 |
---|---|---|---|---|---|---|---|---|
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[10654416] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | seed | n.a. |
PMID[14577694] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[20014777] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | seed | n.a. |
PMID[21942765] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | seeds | n.a. | n.a. |
PMID[21942765] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. |
PMID[22459211] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[HerDing] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCMID] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TCM_Taiwan] |
NPO495 | Daemonorops draco | Species | Arecaceae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. | Database[TM-MC] |
NPO10494 | Alpinia katsumadai | Species | Staphylinidae | Eukaryota | n.a. | n.a. | n.a. | Database[UNPD] |
NPO495 | Daemonorops draco | Species | Arecaceae | 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 |
---|---|---|---|---|---|---|---|---|
NPT2552 | Individual Protein | Calcium-activated potassium channel subunit alpha-1 | Homo sapiens | Control | = | 82.4 | % | PMID[460187] |
NPT165 | Cell Line | HeLa | Homo sapiens | ED | = | 3.1 | ug ml-1 | PMID[460188] |
NPT3803 | Individual Protein | Tumor necrosis factor receptor R1 | Homo sapiens | IC50 | = | 23000.0 | nM | PMID[460189] |
NPT168 | Cell Line | P388 | Mus musculus | IC50 | = | 9630.0 | nM | PMID[460192] |
NPT137 | Cell Line | L1210 | Mus musculus | IC50 | = | 41400.0 | nM | PMID[460192] |
NPT3804 | Cell Line | Human Tumor Cell lines | IC50 | = | 8320.0 | nM | PMID[460192] | |
NPT440 | Individual Protein | Quinone oxidoreductase | Mus musculus | CD | = | 31.0 | uM | PMID[460193] |
NPT3805 | Individual Protein | Cyclooxygenase-1 | Mus musculus | IC50 | = | 22100.0 | nM | PMID[460196] |
NPT581 | Individual Protein | Cyclooxygenase-2 | Mus musculus | IC50 | = | 11200.0 | nM | PMID[460196] |
NPT3806 | Individual Protein | Arachidonate 5-lipoxygenase | Mus musculus | IC50 | = | 12200.0 | nM | PMID[460196] |
NPT299 | Individual Protein | Androgen Receptor | Rattus norvegicus | IC50 | = | 64565.42 | nM | PMID[460198] |
NPT384 | Cell Line | TK-10 | Homo sapiens | Activity | = | 2.0 | % | PMID[460200] |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 19.0 | % | PMID[460200] |
NPT139 | Cell Line | HT-29 | Homo sapiens | Activity | = | 5.0 | % | PMID[460200] |
NPT384 | Cell Line | TK-10 | Homo sapiens | IC50 | = | 42000.0 | nM | PMID[460200] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 63000.0 | nM | PMID[460200] |
NPT139 | Cell Line | HT-29 | Homo sapiens | IC50 | = | 70000.0 | nM | PMID[460200] |
NPT582 | Individual Protein | Monoamine oxidase B | Homo sapiens | IC50 | = | 1410.0 | nM | PMID[460207] |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 3800.0 | nM | PMID[460212] |
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 22387.2 | nM | PMID[460215] |
NPT47 | Individual Protein | ATP-dependent DNA helicase Q1 | Homo sapiens | Potency | = | 4466.8 | nM | PMID[460215] |
NPT2741 | Individual Protein | Pyruvate kinase | Leishmania mexicana | Potency | = | 15848.9 | nM | PMID[460215] |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | = | 10000.0 | nM | PMID[460215] |
NPT51 | Individual Protein | Microtubule-associated protein tau | Homo sapiens | Potency | = | 14125.4 | nM | PMID[460215] |
NPT3 | Individual Protein | Thioredoxin glutathione reductase | Schistosoma mansoni | Potency | = | 28183.8 | nM | PMID[460215] |
NPT53 | Individual Protein | 4'-phosphopantetheinyl transferase ffp | Bacillus subtilis | Potency | = | 19952.6 | nM | PMID[460215] |
NPT54 | Individual Protein | Nonstructural protein 1 | Influenza A virus | Potency | = | 2511.9 | nM | PMID[460215] |
NPT2561 | Individual Protein | Triosephosphate isomerase, glycosomal | Trypanosoma cruzi | Inhibition | = | 33.0 | % | PMID[460216] |
NPT532 | Individual Protein | Lysine-specific demethylase 4A | Homo sapiens | Potency | n.a. | 79432.8 | nM | PMID[460215] |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 25929.0 | nM | PMID[460215] |
NPT64 | Individual Protein | ATPase family AAA domain-containing protein 5 | Homo sapiens | Potency | n.a. | 14581.0 | nM | PMID[460215] |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | FC | = | 0.7 | n.a. | PMID[460219] |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | FC | = | 1.8 | n.a. | PMID[460219] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[460215] |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | n.a. | 63095.7 | nM | PMID[460215] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Potency | n.a. | 17782.8 | nM | PMID[460215] |
NPT154 | Individual Protein | Mothers against decapentaplegic homolog 3 | Homo sapiens | Potency | n.a. | 35481.3 | nM | PMID[460215] |
NPT484 | Individual Protein | Luciferin 4-monooxygenase | Photinus pyralis | Potency | n.a. | 2393.4 | nM | PMID[460215] |
NPT367 | Cell Line | MDA-N | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT368 | Cell Line | SN12C | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT369 | Cell Line | ACHN | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT370 | Cell Line | NCI-H23 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT372 | Cell Line | HOP-92 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT371 | Cell Line | UO-31 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT116 | Cell Line | HL-60 | Homo sapiens | GI50 | n.a. | 4073.8 | nM | PMID[460220] |
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT373 | Cell Line | SK-MEL-5 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT374 | Cell Line | SF-539 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT375 | Cell Line | Malme-3M | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | n.a. | 4841.72 | nM | PMID[460220] |
NPT376 | Cell Line | A498 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT112 | Cell Line | MOLT-4 | Homo sapiens | GI50 | n.a. | 937.56 | nM | PMID[460220] |
NPT377 | Cell Line | OVCAR-3 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT378 | Cell Line | NCI/ADR-RES | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT379 | Cell Line | HOP-62 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT381 | Cell Line | OVCAR-8 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT380 | Cell Line | U-251 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT382 | Cell Line | OVCAR-5 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT383 | Cell Line | SNB-19 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT385 | Cell Line | SR | Homo sapiens | GI50 | n.a. | 6576.58 | nM | PMID[460220] |
NPT384 | Cell Line | TK-10 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT323 | Cell Line | SW-620 | Homo sapiens | GI50 | n.a. | 3341.95 | nM | PMID[460220] |
NPT386 | Cell Line | KM12 | Homo sapiens | GI50 | n.a. | 3784.43 | nM | PMID[460220] |
NPT455 | Cell Line | NCI-H522 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT388 | Cell Line | NCI-H322M | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT387 | Cell Line | M14 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT389 | Cell Line | RPMI-8226 | Homo sapiens | GI50 | n.a. | 4852.89 | nM | PMID[460220] |
NPT456 | Cell Line | OVCAR-4 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT390 | Cell Line | LOX IMVI | Homo sapiens | GI50 | n.a. | 1896.71 | nM | PMID[460220] |
NPT457 | Cell Line | BT-549 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT147 | Cell Line | SK-MEL-2 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT391 | Cell Line | HCC 2998 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 15848.9 | nM | PMID[460215] |
NPT392 | Cell Line | SNB-75 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | n.a. | 2009.09 | nM | PMID[460220] |
NPT148 | Cell Line | HCT-15 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT394 | Cell Line | EKVX | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT395 | Cell Line | SF-268 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | n.a. | 2697.74 | nM | PMID[460220] |
NPT306 | Cell Line | PC-3 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT397 | Cell Line | NCI-H460 | Homo sapiens | GI50 | n.a. | 9549.93 | nM | PMID[460220] |
NPT396 | Cell Line | T47D | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT398 | Cell Line | UACC-62 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT308 | Cell Line | CAKI-1 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 25929.0 | nM | PMID[460215] |
NPT399 | Cell Line | SF-295 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT400 | Cell Line | MDA-MB-435 | Homo sapiens | GI50 | n.a. | 8128.31 | nM | PMID[460220] |
NPT458 | Cell Line | IGROV-1 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT402 | Cell Line | Hs-578T | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 28183.8 | nM | PMID[460215] |
NPT198 | Individual Protein | Vitamin D receptor | Homo sapiens | Potency | n.a. | 11220.2 | nM | PMID[460215] |
NPT401 | Cell Line | 786-0 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT403 | Cell Line | UACC-257 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT404 | Cell Line | CCRF-CEM | Homo sapiens | GI50 | n.a. | 4830.59 | nM | PMID[460220] |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | n.a. | 6067.36 | nM | PMID[460220] |
NPT2971 | Individual Protein | DNA dC->dU-editing enzyme APOBEC-3F | Homo sapiens | Potency | n.a. | 6309.6 | nM | PMID[460215] |
NPT405 | Cell Line | NCI-H226 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT406 | Cell Line | RXF 393 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT407 | Cell Line | COLO 205 | Homo sapiens | GI50 | n.a. | 10000.0 | nM | PMID[460220] |
NPT153 | Individual Protein | Androgen Receptor | Homo sapiens | Ratio | = | 0.78 | n.a. | PMID[460221] |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 103.0 | % | PMID[460222] |
NPT83 | Cell Line | MCF7 | Homo sapiens | Activity | = | 115.0 | % | PMID[460222] |
NPT520 | Cell Line | 3T3-L1 | Mus musculus | Activity | = | 253.0 | mg/dl | PMID[460223] |
NPT1460 | Cell Line | L929 | Mus musculus | IC50 | = | 6.92 | ug.mL-1 | PMID[460224] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 72.0 | % | PMID[460225] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 95.0 | % | PMID[460225] |
NPT65 | Cell Line | HepG2 | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[460225] |
NPT65 | Cell Line | HepG2 | Homo sapiens | Activity | = | 40.0 | % | PMID[460225] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 6513.1 | nM | PMID[460215] |
NPT477 | Individual Protein | DNA dC->dU-editing enzyme APOBEC-3G | Homo sapiens | Potency | n.a. | 31622.8 | nM | PMID[460215] |
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | n.a. | 29092.9 | nM | PMID[460215] |
NPT50 | Individual Protein | Tyrosyl-DNA phosphodiesterase 1 | Homo sapiens | Potency | n.a. | 14581.0 | nM | PMID[460215] |
NPT165 | Cell Line | HeLa | Homo sapiens | Activity | > | 50000.0 | % | PMID[460230] |
NPT165 | Cell Line | HeLa | Homo sapiens | MEC | > | 50000.0 | nM | PMID[460230] |
NPT165 | Cell Line | HeLa | Homo sapiens | EC50 | > | 50000.0 | nM | PMID[460230] |
NPT137 | Cell Line | L1210 | Mus musculus | IC50 | > | 100000.0 | nM | PMID[460230] |
NPT927 | Cell Line | PBMC | Homo sapiens | IC50 | = | 27000.0 | nM | PMID[460230] |
NPT15 | Cell Line | Jurkat | Homo sapiens | IC50 | = | 17100.0 | nM | PMID[460230] |
NPT183 | Individual Protein | Arachidonate 5-lipoxygenase | Rattus norvegicus | IC50 | = | 43000.0 | nM | PMID[460231] |
NPT582 | Individual Protein | Monoamine oxidase B | Homo sapiens | Activity | = | 0.73 | % | PMID[460232] |
NPT582 | Individual Protein | Monoamine oxidase B | Homo sapiens | IC50 | = | 1412537.54 | nM | PMID[460232] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | TC50 | = | 30.7 | ug ml-1 | PMID[460234] |
NPT1045 | Cell Line | U2OS | Homo sapiens | Activity | = | 73.1 | % | PMID[460233] |
NPT113 | Cell Line | RAW264.7 | Mus musculus | TC50 | = | 28.1 | ug ml-1 | PMID[460234] |
NPT439 | Individual Protein | Butyrylcholinesterase | Homo sapiens | IC50 | = | 87000.0 | nM | PMID[460235] |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Ratio | = | 3.05 | n.a. | PMID[460236] |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Ratio | = | 0.33 | n.a. | PMID[460236] |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Activity | = | 4.0 | % | PMID[460236] |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Papp | = | 3.84 | ucm/s | PMID[460236] |
NPT616 | Cell Line | MDCK | Canis lupus familiaris | Papp | = | 1.26 | ucm/s | PMID[460236] |
NPT3809 | Individual Protein | Pancreatic alpha-amylase | Sus scrofa | Ki | = | 48000.0 | nM | PMID[460243] |
NPT2818 | Individual Protein | Dihydrofolate reductase | Homo sapiens | IC50 | > | 100000.0 | nM | PMID[460244] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 12400.0 | nM | PMID[460244] |
NPT83 | Cell Line | MCF7 | Homo sapiens | LC50 | = | 30700.0 | nM | PMID[460244] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | = | 15700.0 | nM | PMID[460248] |
NPT83 | Cell Line | MCF7 | Homo sapiens | GI50 | = | 12400.0 | nM | PMID[460248] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | LC50 | = | 22500.0 | nM | PMID[460248] |
NPT83 | Cell Line | MCF7 | Homo sapiens | LC50 | = | 30700.0 | nM | PMID[460248] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Inhibition | = | 97.5 | % | PMID[460251] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | Inhibition | = | 100.3 | % | PMID[460251] |
NPT393 | Cell Line | HCT-116 | Homo sapiens | GI50 | = | 3960.0 | nM | PMID[460251] |
NPT2299 | Cell Line | CAL-51 | Homo sapiens | GI50 | = | 1850.0 | nM | PMID[460251] |
NPT83 | Cell Line | MCF7 | Homo sapiens | IC50 | = | 12600.0 | nM | PMID[460255] |
NPT133 | Cell Line | ZR-75-1 | Homo sapiens | IC50 | = | 13700.0 | nM | PMID[460255] |
NPT2326 | Cell Line | BT-20 | Homo sapiens | IC50 | = | 21100.0 | nM | PMID[460255] |
NPT82 | Cell Line | MDA-MB-231 | Homo sapiens | IC50 | = | 6700.0 | nM | PMID[460255] |
NPT90 | Cell Line | DU-145 | Homo sapiens | IC50 | = | 50100.0 | nM | PMID[460255] |
NPT461 | Cell Line | PANC-1 | Homo sapiens | IC50 | = | 26000.0 | nM | PMID[460255] |
NPT1719 | Cell Line | 2008 | Homo sapiens | IC50 | = | 33400.0 | nM | PMID[460255] |
NPT179 | Cell Line | A2780 | Homo sapiens | IC50 | = | 67500.0 | nM | PMID[460255] |
NPT71 | Cell Line | HEK293 | Homo sapiens | IC50 | = | 10700.0 | nM | PMID[460255] |
NPT1161 | Cell Line | CHO | Cricetulus griseus | IC50 | = | 23000.0 | nM | PMID[460255] |
NPT111 | Cell Line | K562 | Homo sapiens | IC50 | = | 4300000.0 | nM | PMID[460256] |
NPT1460 | Cell Line | L929 | Mus musculus | CC50 | = | 89300.0 | nM | PMID[460258] |
NPT1120 | Individual Protein | Pancreatic triacylglycerol lipase | Sus scrofa | IC50 | = | 84410.0 | nM | PMID[460260] |
NPT2740 | Cell Line | Neutrophils | Activity | = | 0.6 | % | PMID[460261] | |
NPT2740 | Cell Line | Neutrophils | Activity | = | 5.0 | % | PMID[460261] | |
NPT35 | Others | n.a. | CLogP | = | 3.58 | n.a. | PMID[460189] | |
NPT605 | Organism | Homo sapiens | Homo sapiens | IC50 | = | 6280.0 | nM | PMID[460190] |
NPT633 | Organism | Leishmania donovani | Leishmania donovani | IC50 | = | 20000.0 | nM | PMID[460191] |
NPT27 | Others | Unspecified | IC50 | = | 21000.0 | nM | PMID[460191] | |
NPT605 | Organism | Homo sapiens | Homo sapiens | IC50 | = | 12700.0 | nM | PMID[460192] |
NPT605 | Organism | Homo sapiens | Homo sapiens | IC50 | = | 12500.0 | nM | PMID[460192] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 92.8 | % | PMID[460194] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Inhibition | = | 94.4 | % | PMID[460194] |
NPT29 | Organism | Rattus norvegicus | Rattus norvegicus | Protection | = | 32.0 | % | PMID[460195] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 6.7 | ug.mL-1 | PMID[460197] |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 62.5 | ug.mL-1 | PMID[460199] |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 125.0 | ug.mL-1 | PMID[460199] |
NPT20 | Organism | Candida albicans | Candida albicans | IZ | = | 30.0 | mm | PMID[460199] |
NPT27 | Others | Unspecified | IC50 | = | 30500.0 | nM | PMID[460200] | |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | = | 41.93 | % | PMID[460201] |
NPT88 | Organism | Mycobacterium tuberculosis | Mycobacterium tuberculosis | Activity | = | 50.64 | % | PMID[460201] |
NPT1208 | Organism | Leishmania braziliensis | Leishmania braziliensis | IC50 | = | 13700.0 | nM | PMID[460202] |
NPT2 | Others | Unspecified | IC50 | > | 50000.0 | nM | PMID[460203] | |
NPT2 | Others | Unspecified | Inhibition | = | 24.2 | % | PMID[460203] | |
NPT1308 | Tissue | Blood | Homo sapiens | IC50 | = | 162560.0 | nM | PMID[460204] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 29.0 | mm | PMID[460205] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | MIC | = | 125.0 | ug.mL-1 | PMID[460205] |
NPT312 | Organism | Saccharomyces cerevisiae | Saccharomyces cerevisiae | MIC | > | 40.0 | ug.mL-1 | PMID[460206] |
NPT3807 | Organism | Pichia angusta | Pichia angusta | MIC | = | 30.0 | ug.mL-1 | PMID[460206] |
NPT3807 | Organism | Pichia angusta | Pichia angusta | MIC | < | 20.0 | ug.mL-1 | PMID[460206] |
NPT3807 | Organism | Pichia angusta | Pichia angusta | MIC | = | 25.0 | ug.mL-1 | PMID[460206] |
NPT3807 | Organism | Pichia angusta | Pichia angusta | MIC | = | 20.0 | ug.mL-1 | PMID[460206] |
NPT3807 | Organism | Pichia angusta | Pichia angusta | MIC | > | 40.0 | ug.mL-1 | PMID[460206] |
NPT3808 | Organism | Kluyveromyces lactis | Kluyveromyces lactis | MIC | < | 20.0 | ug.mL-1 | PMID[460206] |
NPT3808 | Organism | Kluyveromyces lactis | Kluyveromyces lactis | MIC | = | 25.0 | ug.mL-1 | PMID[460206] |
NPT35 | Others | n.a. | Activity | = | 7.1 | ug ml-1 | PMID[460206] | |
NPT2 | Others | Unspecified | Ratio IC50 | > | 14.0 | n.a. | PMID[460207] | |
NPT992 | Organism | Entamoeba histolytica | Entamoeba histolytica | IC50 | = | 1700.0 | nM | PMID[460208] |
NPT27 | Others | Unspecified | IC50 | > | 50000.0 | nM | PMID[460208] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Ratio IC50 | > | 29.41 | n.a. | PMID[460208] |
NPT2 | Others | Unspecified | IC50 | = | 10000.0 | nM | PMID[460209] | |
NPT2 | Others | Unspecified | IC50 | > | 20000.0 | nM | PMID[460211] | |
NPT35 | Others | n.a. | LogP | = | 3.2 | n.a. | PMID[460214] | |
NPT2 | Others | Unspecified | Potency | = | 35481.3 | nM | PMID[460215] | |
NPT2 | Others | Unspecified | Ratio | > | 4.0 | n.a. | PMID[460216] | |
NPT2 | Others | Unspecified | IC50 | > | 20000.0 | nM | PMID[460217] | |
NPT27 | Others | Unspecified | Activity | < | 5.0 | % | PMID[460217] | |
NPT27 | Others | Unspecified | LC50 | = | 33000000.0 | nM | PMID[460218] | |
NPT2 | Others | Unspecified | IC50 | = | 7000000.0 | nM | PMID[460218] | |
NPT530 | Organism | Caenorhabditis elegans | Caenorhabditis elegans | Activity | = | 100.0 | % | PMID[460218] |
NPT530 | Organism | Caenorhabditis elegans | Caenorhabditis elegans | Inhibition | = | 0.0 | % | PMID[460218] |
NPT21696 | PROTEIN-PROTEIN INTERACTION | 1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5 | Homo sapiens | IC50 | = | 4245.0 | nM | PMID[460215] |
NPT2 | Others | Unspecified | Potency | n.a. | 1258.9 | nM | PMID[460215] | |
NPT21697 | PROTEIN-PROTEIN INTERACTION | Perilipin-1/ABHD5 | Homo sapiens | IC50 | = | 4194.0 | nM | PMID[460215] |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | Potency | n.a. | 10417.9 | nM | PMID[460215] |
NPT8 | Individual Protein | DNA polymerase iota | Homo sapiens | Potency | n.a. | 22387.2 | nM | PMID[460215] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | Potency | n.a. | 100000.0 | nM | PMID[460215] |
NPT698 | Individual Protein | Regulator of G-protein signaling 4 | Homo sapiens | Potency | n.a. | 70794.6 | nM | PMID[460215] |
NPT9 | Individual Protein | DNA polymerase eta | Homo sapiens | Potency | n.a. | 89125.1 | nM | PMID[460215] |
NPT2 | Others | Unspecified | Potency | n.a. | 7943.3 | nM | PMID[460215] | |
NPT2 | Others | Unspecified | Potency | n.a. | 29934.9 | nM | PMID[460215] | |
NPT888 | Individual Protein | 78 kDa glucose-regulated protein | Homo sapiens | Potency | n.a. | 44668.4 | nM | PMID[460215] |
NPT1018 | Organism | Trypanosoma brucei | Trypanosoma brucei | IC50 | = | 0.473 | ug.mL-1 | PMID[460224] |
NPT2 | Others | Unspecified | Ratio IC50 | > | 7.78 | n.a. | PMID[460225] | |
NPT3535 | Organism | Entamoeba histolytica HM-1:IMSS | Entamoeba histolytica HM-1:IMSS | IC50 | = | 12860.0 | nM | PMID[460225] |
NPT2 | Others | Unspecified | AbsAC35_uM | n.a. | 1.2 | uM | PMID[460215] | |
NPT2 | Others | Unspecified | Potency | n.a. | 10000.0 | nM | PMID[460215] | |
NPT2 | Others | Unspecified | AbsAC26_uM | n.a. | 6.78 | uM | PMID[460215] | |
NPT1 | Others | Radical scavenging activity | Activity | = | 18.63 | % | PMID[460227] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 42.43 | % | PMID[460227] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 25.35 | % | PMID[460227] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Activity | = | 32.6 | % | PMID[460227] |
NPT1328 | Organism | Culex quinquefasciatus | Culex quinquefasciatus | mortality | = | 100.0 | % | PMID[460228] |
NPT1328 | Organism | Culex quinquefasciatus | Culex quinquefasciatus | LC50 | = | 90.0 | umol/dm3 | PMID[460228] |
NPT2914 | Organism | Xanthomonas oryzae | Xanthomonas oryzae | IZ | = | 0.0 | mm | PMID[460229] |
NPT2915 | Organism | Erwinia chrysanthemi | Erwinia chrysanthemi | IZ | = | 10.0 | mm | PMID[460229] |
NPT529 | Organism | Rhizoctonia solani | Rhizoctonia solani | LC50 | = | 2.49 | ug.mL-1 | PMID[460229] |
NPT722 | Organism | Athelia rolfsii | Athelia rolfsii | LC50 | = | 674.0 | ug.mL-1 | PMID[460229] |
NPT1 | Others | Radical scavenging activity | Activity | = | 9.11 | % | PMID[460229] | |
NPT18 | Organism | Pseudomonas aeruginosa | Pseudomonas aeruginosa | IZ | = | 10.0 | mm | PMID[460229] |
NPT16 | Organism | Staphylococcus aureus | Staphylococcus aureus | IZ | = | 5.0 | mm | PMID[460229] |
NPT173 | Organism | Klebsiella pneumoniae | Klebsiella pneumoniae | IZ | = | 0.0 | mm | PMID[460229] |
NPT2642 | Organism | Bacillus pumilus | Bacillus pumilus | IZ | = | 0.0 | mm | PMID[460229] |
NPT1261 | Organism | Bacillus thuringiensis | Bacillus thuringiensis | IZ | = | 0.0 | mm | PMID[460229] |
NPT2 | Others | Unspecified | Potency | n.a. | 20596.2 | nM | PMID[460215] | |
NPT861 | Individual Protein | Isocitrate dehydrogenase [NADP] cytoplasmic | Homo sapiens | Potency | n.a. | 16360.1 | nM | PMID[460215] |
NPT2 | Others | Unspecified | IC50 | > | 10000.0 | nM | PMID[460230] | |
NPT1559 | Protein Family | Cyclooxygenase | Rattus norvegicus | IC50 | = | 43000.0 | nM | PMID[460231] |
NPT610 | Others | Molecular identity unknown | FC | = | 1.9 | n.a. | PMID[460233] | |
NPT610 | Others | Molecular identity unknown | EC50 | = | 11000.0 | nM | PMID[460233] | |
NPT27 | Others | Unspecified | TI | = | 23.7 | n.a. | PMID[460234] | |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC95 | = | 69.9 | ug ml-1 | PMID[460234] |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC50 | = | 1.3 | ug.mL-1 | PMID[460234] |
NPT27 | Others | Unspecified | TI | = | 20.1 | n.a. | PMID[460234] | |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC95 | = | 71.1 | ug ml-1 | PMID[460234] |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC50 | = | 1.5 | ug.mL-1 | PMID[460234] |
NPT610 | Others | Molecular identity unknown | Inhibition | = | 90.6 | % | PMID[460233] | |
NPT610 | Others | Molecular identity unknown | Inhibition | = | 69.0 | % | PMID[460233] | |
NPT610 | Others | Molecular identity unknown | Inhibition | = | 111.9 | % | PMID[460233] | |
NPT610 | Others | Molecular identity unknown | Inhibition | = | 101.5 | % | PMID[460233] | |
NPT610 | Others | Molecular identity unknown | Inhibition | = | 18.9 | % | PMID[460233] | |
NPT27 | Others | Unspecified | TI | = | 5.5 | n.a. | PMID[460234] | |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC95 | = | 79.5 | ug ml-1 | PMID[460234] |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC50 | = | 5.1 | ug.mL-1 | PMID[460234] |
NPT27 | Others | Unspecified | TI | = | 4.9 | n.a. | PMID[460234] | |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC95 | = | 83.5 | ug ml-1 | PMID[460234] |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC50 | = | 5.7 | ug.mL-1 | PMID[460234] |
NPT27 | Others | Unspecified | Ratio | = | 1.33 | n.a. | PMID[460236] | |
NPT27 | Others | Unspecified | Ratio | = | 1.2 | n.a. | PMID[460236] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 43100.0 | nM | PMID[460237] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 23900.0 | nM | PMID[460237] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IC50 | = | 55400.0 | nM | PMID[460237] |
NPT27 | Others | Unspecified | Papp | = | 2.89 | ucm/s | PMID[460236] | |
NPT27 | Others | Unspecified | Papp | = | 1.05 | ucm/s | PMID[460236] | |
NPT27 | Others | Unspecified | Ratio | = | 2.75 | n.a. | PMID[460236] | |
NPT27 | Others | Unspecified | Ratio | = | 0.36 | n.a. | PMID[460236] | |
NPT35 | Others | n.a. | IC50 | = | 3139260000.0 | nM | PMID[460238] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | logMIC | = | 1.0 | n.a. | PMID[460239] |
NPT2 | Others | Unspecified | Potency | n.a. | 39810.7 | nM | PMID[460215] | |
NPT2 | Others | Unspecified | Ratio EC50 | = | 0.7 | n.a. | PMID[460240] | |
NPT634 | Organism | Leishmania amazonensis | Leishmania amazonensis | EC50 | = | 13200.0 | nM | PMID[460240] |
NPT1021 | Organism | Leishmania infantum | Leishmania infantum | EC50 | = | 8890.0 | nM | PMID[460240] |
NPT2 | Others | Unspecified | Ratio EC50 | = | 1.06 | n.a. | PMID[460240] | |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | EC50 | = | 102640.0 | nM | PMID[460240] |
NPT2 | Others | Unspecified | Ratio EC50 | = | 0.09 | n.a. | PMID[460240] | |
NPT27 | Others | Unspecified | EC50 | = | 9500.0 | nM | PMID[460240] | |
NPT2 | Others | Unspecified | IC50 | = | 68.23 | ug.mL-1 | PMID[460241] | |
NPT329 | Organism | Trichophyton rubrum | Trichophyton rubrum | MIC | = | 1.9 | ug.mL-1 | PMID[460241] |
NPT329 | Organism | Trichophyton rubrum | Trichophyton rubrum | MIC | = | 7.5 | ug.mL-1 | PMID[460241] |
NPT2 | Others | Unspecified | IC50 | = | 0.02 | ug.mL-1 | PMID[460241] | |
NPT2 | Others | Unspecified | IC50 | = | 0.14 | ug.mL-1 | PMID[460241] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | Cmin | = | 10.0 | umol/L | PMID[460242] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | GI50 | = | 15700.0 | nM | PMID[460244] |
NPT2 | Others | Unspecified | IC50 | = | 10800.0 | nM | PMID[460244] | |
NPT2 | Others | Unspecified | IC50 | = | 46400.0 | nM | PMID[460244] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | LC50 | = | 22500.0 | nM | PMID[460244] |
NPT35 | Others | n.a. | Activity | = | 0.049 | equiv | PMID[460245] | |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IZ | = | 7.0 | mm | PMID[460246] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IZ | = | 5.0 | mm | PMID[460246] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IZ | = | 6.5 | mm | PMID[460246] |
NPT20529 | NON-MOLECULAR | NON-PROTEIN TARGET | n.a. | IZ | = | 6.0 | mm | PMID[460246] |
NPT35 | Others | n.a. | IC50 | = | 70900.0 | nM | PMID[460246] | |
NPT35 | Others | n.a. | IC50 | = | 98090.0 | nM | PMID[460246] | |
NPT32 | Organism | Mus musculus | Mus musculus | Inhibition | = | 21.68 | % | PMID[460247] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | IC50 | = | 26700.0 | nM | PMID[460248] |
NPT7 | Individual Protein | Thioredoxin reductase 1, cytoplasmic | Rattus norvegicus | IC50 | = | 46400.0 | nM | PMID[460248] |
NPT35 | Others | n.a. | K | = | 3.0 | /M/s | PMID[460249] | |
NPT35 | Others | n.a. | Activity | < | 0.1 | mmolequiv/mmol | PMID[460250] | |
NPT35 | Others | n.a. | Inhibition | = | 18.4 | % | PMID[460250] | |
NPT20 | Organism | Candida albicans | Candida albicans | MIC | = | 31.0 | ug.mL-1 | PMID[460253] |
NPT20 | Organism | Candida albicans | Candida albicans | FICI | = | 0.562 | n.a. | PMID[460253] |
NPT20 | Organism | Candida albicans | Candida albicans | FICI | = | 0.75 | n.a. | PMID[460253] |
NPT2 | Others | Unspecified | Inhibition | < | 20.0 | % | PMID[460253] | |
NPT20 | Organism | Candida albicans | Candida albicans | Inhibition | = | 49.0 | % | PMID[460253] |
NPT20 | Organism | Candida albicans | Candida albicans | Inhibition | = | 66.0 | % | PMID[460253] |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | MIC | = | 65.0 | ug.mL-1 | PMID[460254] |
NPT3650 | Organism | Aspergillus versicolor | Aspergillus versicolor | MIC | = | 2000.0 | ug.mL-1 | PMID[460254] |
NPT3656 | Organism | Paecilomyces variotii | Paecilomyces variotii | MIC | = | 1000.0 | ug.mL-1 | PMID[460254] |
NPT3695 | Organism | Penicillium funiculosum | Penicillium funiculosum | MIC | = | 130.0 | ug.mL-1 | PMID[460254] |
NPT2567 | Organism | Trichoderma viride | Hypocrea rufa | MIC | = | 500.0 | ug.mL-1 | PMID[460254] |
NPT23783 | ORGANISM | Penicillium cyclopium | Penicillium cyclopium | MIC | = | 260.0 | ug.mL-1 | PMID[460254] |
NPT3687 | Organism | Aureobasidium pullulans | Aureobasidium pullulans | MIC | = | 500.0 | ug.mL-1 | PMID[460254] |
NPT23785 | ORGANISM | Chaetomium globosum | Chaetomium globosum | MIC | = | 130.0 | ug.mL-1 | PMID[460254] |
NPT21 | Organism | Aspergillus niger | Aspergillus niger | MFC | = | 65.0 | ug ml-1 | PMID[460254] |
NPT3650 | Organism | Aspergillus versicolor | Aspergillus versicolor | MFC | = | 2000.0 | ug ml-1 | PMID[460254] |
NPT3656 | Organism | Paecilomyces variotii | Paecilomyces variotii | MFC | = | 1000.0 | ug ml-1 | PMID[460254] |
NPT3695 | Organism | Penicillium funiculosum | Penicillium funiculosum | MFC | = | 130.0 | ug ml-1 | PMID[460254] |
NPT2567 | Organism | Trichoderma viride | Hypocrea rufa | MFC | = | 500.0 | ug ml-1 | PMID[460254] |
NPT23783 | ORGANISM | Penicillium cyclopium | Penicillium cyclopium | MFC | = | 260.0 | ug ml-1 | PMID[460254] |
NPT3687 | Organism | Aureobasidium pullulans | Aureobasidium pullulans | MFC | = | 500.0 | ug ml-1 | PMID[460254] |
NPT23785 | ORGANISM | Chaetomium globosum | Chaetomium globosum | MFC | = | 130.0 | ug ml-1 | PMID[460254] |
NPT2 | Others | Unspecified | IC50 | = | 6400.0 | nM | PMID[460255] | |
NPT518 | Protein Complex | Tubulin | Homo sapiens | IC50 | = | 620000.0 | nM | PMID[460256] |
NPT329 | Organism | Trichophyton rubrum | Trichophyton rubrum | MIC | = | 7.5 | ug.mL-1 | PMID[460257] |
NPT329 | Organism | Trichophyton rubrum | Trichophyton rubrum | MIC | = | 1.9 | ug.mL-1 | PMID[460257] |
NPT2 | Others | Unspecified | IC50 | = | 68.23 | ug.mL-1 | PMID[460257] | |
NPT2 | Others | Unspecified | IC50 | = | 17.1 | ug.mL-1 | PMID[460257] | |
NPT580 | Organism | Trypanosoma cruzi | Trypanosoma cruzi | EC50 | = | 26900.0 | nM | PMID[460258] |
NPT2 | Others | Unspecified | Ratio CC50/EC50 | = | 3.3 | n.a. | PMID[460258] | |
NPT21765 | SINGLE PROTEIN | Sortase A | Streptococcus mutans | IC50 | = | 5000.0 | nM | PMID[460259] |
NPT878 | Organism | Streptococcus mutans | Streptococcus mutans | Inhibition | = | 90.0 | % | PMID[460259] |
NPT2 | Others | Unspecified | IC50 | = | 13000.0 | nM | PMID[460261] | |
NPT2 | Others | Unspecified | IC50 | = | 27000.0 | nM | PMID[460261] | |
NPT2 | Others | Unspecified | Ratio IC50 | = | 2.0 | n.a. | PMID[460261] |
☑ 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 NPC71664 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 |
---|---|---|
0.9867 | High Similarity | NPC273033 |
0.9867 | High Similarity | NPC12936 |
0.961 | High Similarity | NPC273758 |
0.9595 | High Similarity | NPC245966 |
0.9467 | High Similarity | NPC285470 |
0.9467 | High Similarity | NPC2785 |
0.9467 | High Similarity | NPC36342 |
0.9342 | High Similarity | NPC151405 |
0.9342 | High Similarity | NPC139901 |
0.9342 | High Similarity | NPC300205 |
0.9221 | High Similarity | NPC164086 |
0.9221 | High Similarity | NPC95868 |
0.9221 | High Similarity | NPC190567 |
0.9136 | High Similarity | NPC69057 |
0.9103 | High Similarity | NPC145053 |
0.9024 | High Similarity | NPC267262 |
0.8916 | High Similarity | NPC418308 |
0.8916 | High Similarity | NPC113307 |
0.8875 | High Similarity | NPC215008 |
0.8861 | High Similarity | NPC73978 |
0.8831 | High Similarity | NPC9796 |
0.881 | High Similarity | NPC19256 |
0.881 | High Similarity | NPC277277 |
0.88 | High Similarity | NPC285679 |
0.8675 | High Similarity | NPC43945 |
0.8667 | High Similarity | NPC74458 |
0.8642 | High Similarity | NPC324624 |
0.8608 | High Similarity | NPC272260 |
0.859 | High Similarity | NPC179726 |
0.8571 | High Similarity | NPC157778 |
0.8554 | High Similarity | NPC307 |
0.8554 | High Similarity | NPC160339 |
0.8506 | High Similarity | NPC289883 |
0.8471 | Intermediate Similarity | NPC325709 |
0.8462 | Intermediate Similarity | NPC78500 |
0.8434 | Intermediate Similarity | NPC123476 |
0.8415 | Intermediate Similarity | NPC197581 |
0.8415 | Intermediate Similarity | NPC39600 |
0.8409 | Intermediate Similarity | NPC472880 |
0.84 | Intermediate Similarity | NPC98880 |
0.8395 | Intermediate Similarity | NPC100039 |
0.8391 | Intermediate Similarity | NPC59677 |
0.8372 | Intermediate Similarity | NPC173413 |
0.8289 | Intermediate Similarity | NPC95289 |
0.8276 | Intermediate Similarity | NPC284475 |
0.8276 | Intermediate Similarity | NPC103346 |
0.8276 | Intermediate Similarity | NPC133461 |
0.8272 | Intermediate Similarity | NPC285716 |
0.8272 | Intermediate Similarity | NPC17408 |
0.8272 | Intermediate Similarity | NPC477703 |
0.8267 | Intermediate Similarity | NPC311343 |
0.825 | Intermediate Similarity | NPC137847 |
0.825 | Intermediate Similarity | NPC76455 |
0.8214 | Intermediate Similarity | NPC252067 |
0.8205 | Intermediate Similarity | NPC208075 |
0.8182 | Intermediate Similarity | NPC188844 |
0.8182 | Intermediate Similarity | NPC1682 |
0.8182 | Intermediate Similarity | NPC153885 |
0.8182 | Intermediate Similarity | NPC155232 |
0.8182 | Intermediate Similarity | NPC323420 |
0.814 | Intermediate Similarity | NPC473345 |
0.8132 | Intermediate Similarity | NPC49994 |
0.8125 | Intermediate Similarity | NPC329318 |
0.8111 | Intermediate Similarity | NPC185208 |
0.8111 | Intermediate Similarity | NPC219573 |
0.809 | Intermediate Similarity | NPC238219 |
0.8077 | Intermediate Similarity | NPC271437 |
0.8025 | Intermediate Similarity | NPC103488 |
0.8022 | Intermediate Similarity | NPC239185 |
0.8 | Intermediate Similarity | NPC260233 |
0.7976 | Intermediate Similarity | NPC149263 |
0.7957 | Intermediate Similarity | NPC472879 |
0.7935 | Intermediate Similarity | NPC134882 |
0.7931 | Intermediate Similarity | NPC153308 |
0.7912 | Intermediate Similarity | NPC12695 |
0.7889 | Intermediate Similarity | NPC34243 |
0.7889 | Intermediate Similarity | NPC246757 |
0.7889 | Intermediate Similarity | NPC261181 |
0.7889 | Intermediate Similarity | NPC291070 |
0.7865 | Intermediate Similarity | NPC110704 |
0.7826 | Intermediate Similarity | NPC240042 |
0.7826 | Intermediate Similarity | NPC265220 |
0.7789 | Intermediate Similarity | NPC329556 |
0.7766 | Intermediate Similarity | NPC109514 |
0.7766 | Intermediate Similarity | NPC476993 |
0.7753 | Intermediate Similarity | NPC110420 |
0.7753 | Intermediate Similarity | NPC303967 |
0.7753 | Intermediate Similarity | NPC58872 |
0.7753 | Intermediate Similarity | NPC67585 |
0.7742 | Intermediate Similarity | NPC75724 |
0.7727 | Intermediate Similarity | NPC477693 |
0.7727 | Intermediate Similarity | NPC477704 |
0.7722 | Intermediate Similarity | NPC326200 |
0.7708 | Intermediate Similarity | NPC249067 |
0.7701 | Intermediate Similarity | NPC164526 |
0.7692 | Intermediate Similarity | NPC16190 |
0.7692 | Intermediate Similarity | NPC169222 |
0.7692 | Intermediate Similarity | NPC235059 |
0.7683 | Intermediate Similarity | NPC298023 |
0.7667 | Intermediate Similarity | NPC476484 |
0.764 | Intermediate Similarity | NPC231591 |
0.7634 | Intermediate Similarity | NPC156021 |
0.7634 | Intermediate Similarity | NPC103048 |
0.7634 | Intermediate Similarity | NPC289201 |
0.7629 | Intermediate Similarity | NPC167336 |
0.7629 | Intermediate Similarity | NPC134120 |
0.7614 | Intermediate Similarity | NPC194326 |
0.7604 | Intermediate Similarity | NPC471829 |
0.7604 | Intermediate Similarity | NPC472691 |
0.7604 | Intermediate Similarity | NPC475939 |
0.7604 | Intermediate Similarity | NPC474866 |
0.7586 | Intermediate Similarity | NPC95965 |
0.7582 | Intermediate Similarity | NPC77273 |
0.7579 | Intermediate Similarity | NPC42211 |
0.7579 | Intermediate Similarity | NPC112552 |
0.75 | Intermediate Similarity | NPC244427 |
0.75 | Intermediate Similarity | NPC318107 |
0.75 | Intermediate Similarity | NPC222390 |
0.7475 | Intermediate Similarity | NPC141523 |
0.7475 | Intermediate Similarity | NPC203732 |
0.7474 | Intermediate Similarity | NPC118343 |
0.7473 | Intermediate Similarity | NPC187725 |
0.7473 | Intermediate Similarity | NPC141607 |
0.7467 | Intermediate Similarity | NPC246588 |
0.7444 | Intermediate Similarity | NPC298115 |
0.7444 | Intermediate Similarity | NPC9822 |
0.7432 | Intermediate Similarity | NPC36357 |
0.7432 | Intermediate Similarity | NPC114327 |
0.7423 | Intermediate Similarity | NPC247976 |
0.7423 | Intermediate Similarity | NPC274443 |
0.7423 | Intermediate Similarity | NPC255676 |
0.7412 | Intermediate Similarity | NPC157055 |
0.7412 | Intermediate Similarity | NPC127343 |
0.74 | Intermediate Similarity | NPC17525 |
0.7374 | Intermediate Similarity | NPC472699 |
0.7374 | Intermediate Similarity | NPC472700 |
0.7368 | Intermediate Similarity | NPC22786 |
0.7356 | Intermediate Similarity | NPC285773 |
0.7356 | Intermediate Similarity | NPC288903 |
0.7347 | Intermediate Similarity | NPC329282 |
0.732 | Intermediate Similarity | NPC25458 |
0.73 | Intermediate Similarity | NPC472695 |
0.73 | Intermediate Similarity | NPC211439 |
0.73 | Intermediate Similarity | NPC472696 |
0.73 | Intermediate Similarity | NPC472683 |
0.73 | Intermediate Similarity | NPC472701 |
0.7273 | Intermediate Similarity | NPC105899 |
0.7273 | Intermediate Similarity | NPC474910 |
0.7273 | Intermediate Similarity | NPC172483 |
0.7273 | Intermediate Similarity | NPC113670 |
0.7263 | Intermediate Similarity | NPC270654 |
0.7255 | Intermediate Similarity | NPC116842 |
0.7241 | Intermediate Similarity | NPC230068 |
0.7234 | Intermediate Similarity | NPC206764 |
0.7234 | Intermediate Similarity | NPC130398 |
0.7229 | Intermediate Similarity | NPC32203 |
0.7229 | Intermediate Similarity | NPC206800 |
0.7228 | Intermediate Similarity | NPC470252 |
0.72 | Intermediate Similarity | NPC100767 |
0.7191 | Intermediate Similarity | NPC294134 |
0.7188 | Intermediate Similarity | NPC145052 |
0.7188 | Intermediate Similarity | NPC229242 |
0.7188 | Intermediate Similarity | NPC317280 |
0.7188 | Intermediate Similarity | NPC329387 |
0.7184 | Intermediate Similarity | NPC268388 |
0.7184 | Intermediate Similarity | NPC186128 |
0.7179 | Intermediate Similarity | NPC291066 |
0.7174 | Intermediate Similarity | NPC62765 |
0.7172 | Intermediate Similarity | NPC114594 |
0.7162 | Intermediate Similarity | NPC198841 |
0.7159 | Intermediate Similarity | NPC243289 |
0.7159 | Intermediate Similarity | NPC44830 |
0.7159 | Intermediate Similarity | NPC208183 |
0.7143 | Intermediate Similarity | NPC320891 |
0.7143 | Intermediate Similarity | NPC200745 |
0.7143 | Intermediate Similarity | NPC71009 |
0.7129 | Intermediate Similarity | NPC470391 |
0.7126 | Intermediate Similarity | NPC71795 |
0.7113 | Intermediate Similarity | NPC325497 |
0.7113 | Intermediate Similarity | NPC476042 |
0.7113 | Intermediate Similarity | NPC217621 |
0.71 | Intermediate Similarity | NPC269457 |
0.71 | Intermediate Similarity | NPC209632 |
0.7087 | Intermediate Similarity | NPC265513 |
0.7083 | Intermediate Similarity | NPC253423 |
0.7083 | Intermediate Similarity | NPC249912 |
0.7083 | Intermediate Similarity | NPC276775 |
0.7083 | Intermediate Similarity | NPC92754 |
0.7073 | Intermediate Similarity | NPC155429 |
0.7071 | Intermediate Similarity | NPC474365 |
0.7071 | Intermediate Similarity | NPC301943 |
0.7067 | Intermediate Similarity | NPC65873 |
0.7067 | Intermediate Similarity | NPC212114 |
0.7067 | Intermediate Similarity | NPC300345 |
0.7067 | Intermediate Similarity | NPC120441 |
0.7059 | Intermediate Similarity | NPC318327 |
0.7059 | Intermediate Similarity | NPC192577 |
0.7059 | Intermediate Similarity | NPC3672 |
0.7059 | Intermediate Similarity | NPC287790 |
0.7053 | Intermediate Similarity | NPC172925 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC71664 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 |
---|---|---|---|
0.9867 | High Similarity | NPD942 | Approved |
0.9221 | High Similarity | NPD1507 | Clinical (unspecified phase) |
0.8675 | High Similarity | NPD650 | Approved |
0.8605 | High Similarity | NPD1508 | Approved |
0.8452 | Intermediate Similarity | NPD506 | Clinical (unspecified phase) |
0.8315 | Intermediate Similarity | NPD1843 | Approved |
0.8276 | Intermediate Similarity | NPD7609 | Phase 3 |
0.8182 | Intermediate Similarity | NPD7631 | Approved |
0.8022 | Intermediate Similarity | NPD3495 | Discontinued |
0.7889 | Intermediate Similarity | NPD1202 | Approved |
0.7872 | Intermediate Similarity | NPD1932 | Approved |
0.7789 | Intermediate Similarity | NPD1931 | Clinical (unspecified phase) |
0.7789 | Intermediate Similarity | NPD1929 | Approved |
0.7789 | Intermediate Similarity | NPD1930 | Approved |
0.7708 | Intermediate Similarity | NPD1237 | Approved |
0.7634 | Intermediate Similarity | NPD1100 | Approved |
0.7634 | Intermediate Similarity | NPD1099 | Approved |
0.759 | Intermediate Similarity | NPD227 | Approved |
0.759 | Intermediate Similarity | NPD225 | Approved |
0.75 | Intermediate Similarity | NPD9257 | Approved |
0.75 | Intermediate Similarity | NPD2648 | Phase 3 |
0.75 | Intermediate Similarity | NPD9490 | Approved |
0.75 | Intermediate Similarity | NPD2171 | Approved |
0.75 | Intermediate Similarity | NPD2193 | Phase 2 |
0.75 | Intermediate Similarity | NPD9259 | Approved |
0.7474 | Intermediate Similarity | NPD1238 | Approved |
0.7474 | Intermediate Similarity | NPD2066 | Phase 3 |
0.7419 | Intermediate Similarity | NPD4094 | Approved |
0.74 | Intermediate Similarity | NPD2329 | Discontinued |
0.7356 | Intermediate Similarity | NPD9491 | Approved |
0.7347 | Intermediate Similarity | NPD2577 | Clinical (unspecified phase) |
0.7326 | Intermediate Similarity | NPD226 | Approved |
0.732 | Intermediate Similarity | NPD2196 | Discontinued |
0.7312 | Intermediate Similarity | NPD5122 | Clinical (unspecified phase) |
0.7283 | Intermediate Similarity | NPD1239 | Approved |
0.7273 | Intermediate Similarity | NPD675 | Discontinued |
0.7263 | Intermediate Similarity | NPD4657 | Approved |
0.7263 | Intermediate Similarity | NPD4655 | Approved |
0.7229 | Intermediate Similarity | NPD9716 | Approved |
0.7174 | Intermediate Similarity | NPD9258 | Approved |
0.7174 | Intermediate Similarity | NPD9256 | Approved |
0.7128 | Intermediate Similarity | NPD1563 | Approved |
0.71 | Intermediate Similarity | NPD2192 | Approved |
0.71 | Intermediate Similarity | NPD2197 | Approved |
0.71 | Intermediate Similarity | NPD1677 | Discontinued |
0.7053 | Intermediate Similarity | NPD688 | Clinical (unspecified phase) |
0.7033 | Intermediate Similarity | NPD1087 | Approved |
0.699 | Remote Similarity | NPD664 | Approved |
0.6979 | Remote Similarity | NPD1989 | Approved |
0.697 | Remote Similarity | NPD6024 | Approved |
0.697 | Remote Similarity | NPD6027 | Approved |
0.6966 | Remote Similarity | NPD3971 | Phase 1 |
0.6923 | Remote Similarity | NPD4141 | Clinical (unspecified phase) |
0.6907 | Remote Similarity | NPD1565 | Approved |
0.6907 | Remote Similarity | NPD1564 | Approved |
0.6907 | Remote Similarity | NPD1566 | Phase 3 |
0.69 | Remote Similarity | NPD3357 | Discontinued |
0.6882 | Remote Similarity | NPD800 | Approved |
0.6875 | Remote Similarity | NPD1693 | Approved |
0.6875 | Remote Similarity | NPD9260 | Approved |
0.6857 | Remote Similarity | NPD1609 | Clinical (unspecified phase) |
0.6848 | Remote Similarity | NPD4793 | Discontinued |
0.6832 | Remote Similarity | NPD5909 | Discontinued |
0.6832 | Remote Similarity | NPD164 | Approved |
0.6827 | Remote Similarity | NPD1317 | Discontinued |
0.6809 | Remote Similarity | NPD1090 | Approved |
0.6809 | Remote Similarity | NPD1089 | Approved |
0.6809 | Remote Similarity | NPD1086 | Approved |
0.6804 | Remote Similarity | NPD5206 | Clinical (unspecified phase) |
0.68 | Remote Similarity | NPD813 | Approved |
0.6768 | Remote Similarity | NPD7798 | Approved |
0.6737 | Remote Similarity | NPD1007 | Discontinued |
0.6731 | Remote Similarity | NPD6831 | Clinical (unspecified phase) |
0.6702 | Remote Similarity | NPD5346 | Phase 2 |
0.6702 | Remote Similarity | NPD5347 | Phase 2 |
0.6667 | Remote Similarity | NPD1246 | Approved |
0.6667 | Remote Similarity | NPD5951 | Approved |
0.6667 | Remote Similarity | NPD1088 | Approved |
0.6636 | Remote Similarity | NPD7610 | Discontinued |
0.6632 | Remote Similarity | NPD3672 | Approved |
0.6632 | Remote Similarity | NPD3673 | Approved |
0.6607 | Remote Similarity | NPD2345 | Approved |
0.6607 | Remote Similarity | NPD5836 | Discontinued |
0.6604 | Remote Similarity | NPD2181 | Clinical (unspecified phase) |
0.6577 | Remote Similarity | NPD7009 | Phase 2 |
0.6574 | Remote Similarity | NPD1175 | Approved |
0.6571 | Remote Similarity | NPD2182 | Approved |
0.6569 | Remote Similarity | NPD9261 | Approved |
0.6549 | Remote Similarity | NPD4879 | Approved |
0.6543 | Remote Similarity | NPD173 | Clinical (unspecified phase) |
0.6514 | Remote Similarity | NPD1074 | Approved |
0.6514 | Remote Similarity | NPD1075 | Approved |
0.6514 | Remote Similarity | NPD1073 | Approved |
0.65 | Remote Similarity | NPD9495 | Approved |
0.6491 | Remote Similarity | NPD6287 | Discontinued |
0.6491 | Remote Similarity | NPD1547 | Clinical (unspecified phase) |
0.6489 | Remote Similarity | NPD1282 | Approved |
0.646 | Remote Similarity | NPD1727 | Approved |
0.6452 | Remote Similarity | NPD5734 | Clinical (unspecified phase) |
0.6435 | Remote Similarity | NPD4878 | Approved |
0.6435 | Remote Similarity | NPD3972 | Approved |
0.6429 | Remote Similarity | NPD9497 | Clinical (unspecified phase) |
0.6422 | Remote Similarity | NPD1241 | Discontinued |
0.6408 | Remote Similarity | NPD6647 | Phase 2 |
0.6404 | Remote Similarity | NPD7457 | Clinical (unspecified phase) |
0.6396 | Remote Similarity | NPD405 | Clinical (unspecified phase) |
0.6379 | Remote Similarity | NPD5159 | Phase 2 |
0.6379 | Remote Similarity | NPD5157 | Phase 1 |
0.6379 | Remote Similarity | NPD5158 | Clinical (unspecified phase) |
0.6373 | Remote Similarity | NPD3135 | Clinical (unspecified phase) |
0.6372 | Remote Similarity | NPD1245 | Approved |
0.6348 | Remote Similarity | NPD1201 | Approved |
0.6337 | Remote Similarity | NPD466 | Approved |
0.6337 | Remote Similarity | NPD5926 | Approved |
0.633 | Remote Similarity | NPD7094 | Approved |
0.633 | Remote Similarity | NPD6858 | Approved |
0.6325 | Remote Similarity | NPD1876 | Approved |
0.6325 | Remote Similarity | NPD1574 | Approved |
0.6321 | Remote Similarity | NPD9263 | Approved |
0.6321 | Remote Similarity | NPD9265 | Clinical (unspecified phase) |
0.6321 | Remote Similarity | NPD9267 | Approved |
0.6321 | Remote Similarity | NPD9264 | Approved |
0.6316 | Remote Similarity | NPD7163 | Clinical (unspecified phase) |
0.6316 | Remote Similarity | NPD4733 | Approved |
0.6311 | Remote Similarity | NPD4803 | Discontinued |
0.6292 | Remote Similarity | NPD4144 | Approved |
0.6292 | Remote Similarity | NPD4147 | Approved |
0.6286 | Remote Similarity | NPD5048 | Discontinued |
0.6275 | Remote Similarity | NPD742 | Approved |
0.6271 | Remote Similarity | NPD1470 | Approved |
0.6271 | Remote Similarity | NPD1593 | Approved |
0.6262 | Remote Similarity | NPD74 | Approved |
0.6262 | Remote Similarity | NPD9266 | Approved |
0.6261 | Remote Similarity | NPD3836 | Clinical (unspecified phase) |
0.6239 | Remote Similarity | NPD9508 | Approved |
0.6238 | Remote Similarity | NPD9566 | Approved |
0.6218 | Remote Similarity | NPD2798 | Approved |
0.6218 | Remote Similarity | NPD4980 | Approved |
0.6216 | Remote Similarity | NPD690 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD6048 | Clinical (unspecified phase) |
0.62 | Remote Similarity | NPD6049 | Phase 2 |
0.6186 | Remote Similarity | NPD6330 | Clinical (unspecified phase) |
0.6182 | Remote Similarity | NPD5277 | Phase 2 |
0.6176 | Remote Similarity | NPD253 | Approved |
0.6174 | Remote Similarity | NPD3412 | Clinical (unspecified phase) |
0.6161 | Remote Similarity | NPD1323 | Discontinued |
0.6161 | Remote Similarity | NPD1025 | Discontinued |
0.6154 | Remote Similarity | NPD1475 | Approved |
0.6154 | Remote Similarity | NPD3356 | Approved |
0.6154 | Remote Similarity | NPD3355 | Approved |
0.6134 | Remote Similarity | NPD1164 | Approved |
0.6132 | Remote Similarity | NPD1018 | Approved |
0.6126 | Remote Similarity | NPD7077 | Approved |
0.6126 | Remote Similarity | NPD7076 | Approved |
0.6121 | Remote Similarity | NPD1889 | Phase 1 |
0.6117 | Remote Similarity | NPD3097 | Clinical (unspecified phase) |
0.6106 | Remote Similarity | NPD9493 | Approved |
0.6092 | Remote Similarity | NPD294 | Approved |
0.6092 | Remote Similarity | NPD292 | Approved |
0.6087 | Remote Similarity | NPD1217 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD4196 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD3981 | Approved |
0.6087 | Remote Similarity | NPD3979 | Approved |
0.6087 | Remote Similarity | NPD3903 | Approved |
0.6087 | Remote Similarity | NPD1617 | Discontinued |
0.6087 | Remote Similarity | NPD3904 | Approved |
0.6071 | Remote Similarity | NPD1021 | Approved |
0.6071 | Remote Similarity | NPD1020 | Approved |
0.6071 | Remote Similarity | NPD2319 | Discontinued |
0.6071 | Remote Similarity | NPD1023 | Approved |
0.6071 | Remote Similarity | NPD1022 | Approved |
0.6071 | Remote Similarity | NPD851 | Approved |
0.6071 | Remote Similarity | NPD853 | Approved |
0.6066 | Remote Similarity | NPD6039 | Approved |
0.6058 | Remote Similarity | NPD5630 | Phase 1 |
0.6055 | Remote Similarity | NPD3646 | Clinical (unspecified phase) |
0.6055 | Remote Similarity | NPD2067 | Discontinued |
0.6053 | Remote Similarity | NPD2347 | Approved |
0.6053 | Remote Similarity | NPD997 | Clinical (unspecified phase) |
0.605 | Remote Similarity | NPD2056 | Discontinued |
0.605 | Remote Similarity | NPD1482 | Clinical (unspecified phase) |
0.6047 | Remote Similarity | NPD1673 | Approved |
0.6023 | Remote Similarity | NPD9728 | Phase 1 |
0.6022 | Remote Similarity | NPD3035 | Approved |
0.6022 | Remote Similarity | NPD4026 | Approved |
0.6022 | Remote Similarity | NPD4027 | Approved |
0.602 | Remote Similarity | NPD1629 | Approved |
0.602 | Remote Similarity | NPD689 | Discontinued |
0.602 | Remote Similarity | NPD1628 | Approved |
0.6017 | Remote Similarity | NPD1077 | Clinical (unspecified phase) |
0.6016 | Remote Similarity | NPD2313 | Discontinued |
0.6016 | Remote Similarity | NPD5422 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD1203 | Approved |
0.6 | Remote Similarity | NPD9545 | Approved |
0.6 | Remote Similarity | NPD5653 | Discontinued |
0.6 | Remote Similarity | NPD6588 | Clinical (unspecified phase) |
0.5984 | Remote Similarity | NPD6832 | Phase 2 |
0.5981 | Remote Similarity | NPD1766 | Approved |
0.5981 | Remote Similarity | NPD1761 | Approved |
0.5981 | Remote Similarity | NPD1767 | Approved |
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.