Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|
Organism ID | Organism Name | Taxonomy Level | Family | SuperKingdom | Isolation Part | Collection Location | Collection Time | Reference |
---|---|---|---|---|---|---|---|---|
NPO1000 | Thymus transcaucasicus | Species | Lamiaceae | Eukaryota | UNPD* | |||
NPO10036 | Bruguiera cylindrica | Species | Rhizophoraceae | Eukaryota | UNPD* | |||
NPO10479 | Ophiocoma echinata | Species | Ophiocomidae | Eukaryota | UNPD* | |||
NPO10733 | Plantago uniflora | Species | Plantaginaceae | Eukaryota | UNPD* | |||
NPO10833 | Heteromma simplicifolium | NA | NA | NA | UNPD* | |||
NPO10959 | Kalanchoe marmorata | Species | Crassulaceae | Eukaryota | UNPD* | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | blood | Geigy Scientific Tables, 8th Rev edition. Edited by C. Lentner, West Cadwell, N.J.: Medical education Div., Ciba-Geigy Corp., Basel, Switzerland c1981-1992. | ||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | DOI[10.1038/nbt.2488] | |||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | urine |
PMID[24023812] |
||
NPO1797 | Homo sapiens | Species | Hominidae | Eukaryota | cerebrospinal fluid |
PMID[3127089] |
Activity Type | # Activity |
---|---|
ED50 | 1 |
IC50 | 9 |
Others | 58 |
Potency | 75 |
Activity Type | # Activity |
---|---|
Cell Line | 3 |
Individual Protein | 66 |
Organism | 43 |
Others | 30 |
Protein-Protein Interaction | 1 |
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|
Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 3162.3 | nM | PubChem BioAssay data set | |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | 14125.4 | nM | PubChem BioAssay data set | |
NPT100 | Individual Protein | Glutaminase kidney isoform, mitochondrial | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT104 | Individual Protein | Cerebroside-sulfatase | Homo sapiens | Potency | 37933 | nM | PubChem BioAssay data set | |
NPT1153 | Individual Protein | Monocarboxylate transporter 10 | Rattus norvegicus | Activity | = | 40 | % | 11278508 |
NPT1237 | Individual Protein | Oligopeptide transporter small intestine isoform | Homo sapiens | IC50 | = | 141200000 | nM | 10052994 |
NPT13 | Individual Protein | Tyrosine-protein kinase LCK | Homo sapiens | IC50 | = | 3729 | nM | DrugMatrix in vitro pharmacology data |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 31622.8 | nM | PubChem BioAssay data set | |
NPT135 | Individual Protein | Chromobox protein homolog 1 | Homo sapiens | Potency | 19952.6 | nM | PubChem BioAssay data set | |
NPT14 | Individual Protein | Tyrosine-protein kinase FYN | Homo sapiens | IC50 | = | 2146 | nM | DrugMatrix in vitro pharmacology data |
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 NPC161593 and all remaining natural products in the NPASS database.
● The right table: Most similar natural products (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 118 |
0.1-0.2 | 797 |
0.2-0.3 | 3114 |
0.3-0.4 | 9709 |
0.4-0.5 | 4041 |
0.5-0.6 | 9776 |
0.6-0.7 | 3032 |
0.7-0.8 | 276 |
0.8-0.85 | 11 |
0.85-0.9 | 7 |
0.9-0.95 | 5 |
0.95-1 | 3 |
Similarity Score | Similarity Level | Natural Product ID |
---|
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
● The left chart: Distribution of similarity level between NPC161593 and all drugs/candidates.
● The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).
range | Tanimoto Coefficient |
---|---|
0-0.1 | 111 |
0.1-0.2 | 549 |
0.2-0.3 | 1054 |
0.3-0.4 | 2377 |
0.4-0.5 | 2523 |
0.5-0.6 | 1895 |
0.6-0.7 | 543 |
0.7-0.8 | 85 |
0.8-0.85 | 9 |
0.85-0.9 | 6 |
0.9-0.95 | 4 |
0.95-1 | 5 |
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|
Similarity Score | Similarity Level | Drug ID | Developmental Stage |
---|---|---|---|
0.6599 | Remote Similarity | NPD6405 | Approved |
0.66 | Remote Similarity | NPD651 | Clinical (unspecified phase) |
0.6601 | Remote Similarity | NPD4110 | Phase 3 |
0.6601 | Remote Similarity | NPD4109 | Clinical (unspecified phase) |
0.6603 | Remote Similarity | NPD6390 | Discontinued |
PubChem CID | 6971033;6047 |
ChEMBL | CHEMBL1009 |
ZINC |
Molecular Weight: | 197.07 |
ALogP: | -2.005 |
MLogP: | 1.9 |
XLogP: | -2.111 |
# Rotatable Bonds: | 7 |
Polar Surface Area: | 103.78 |
# H-Bond Aceptor: | 3 |
# H-Bond Donor: | 4 |
# Rings: | 1 |
# Heavy Atoms: | 14 |