Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT483 | Individual Protein | Prelamin-A/C | Homo sapiens | Potency | = | 35481.3 | nM | PubChem BioAssay data set |
NPT539 | Individual Protein | Cellular tumor antigen p53 | Homo sapiens | Potency | = | 39.8 | nM | PubChem BioAssay data set |
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 89.1 | nM | PubChem BioAssay data set | |
NPT249 | Individual Protein | Glucocorticoid receptor | Homo sapiens | Potency | 50118.7 | nM | PubChem BioAssay data set | |
NPT152 | Individual Protein | Nuclear factor erythroid 2-related factor 2 | Homo sapiens | Potency | 34.4 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 316.2 | nM | PubChem BioAssay data set | ||
NPT10 | Individual Protein | Geminin | Homo sapiens | Potency | 1122 | nM | PubChem BioAssay data set | |
NPT103 | Individual Protein | Nuclear receptor ROR-gamma | Homo sapiens | Potency | 1059.1 | nM | PubChem BioAssay data set | |
NPT73 | Individual Protein | Solute carrier organic anion transporter family member 1B1 | Homo sapiens | Inhibition | = | 98.2 | % | 23571415 |
NPT72 | Individual Protein | Solute carrier organic anion transporter family member 1B3 | Homo sapiens | Inhibition | = | 86.74 | % | 23571415 |
NPT2 | Others | Unspecified | Potency | 34376.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 9688.5 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 6682.4 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 67683.8 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 24541.2 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | Potency | 5011.9 | nM | PubChem BioAssay data set | ||
NPT11 | Individual Protein | Guanine nucleotide-binding protein G(s), subunit alpha | Homo sapiens | Potency | 35481.3 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Potency | 3840.1 | nM | PubChem BioAssay data set | ||
NPT2 | Others | Unspecified | AC50 | 707.9 | nM | PubChem BioAssay data set |
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 NPC281883 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 |
---|---|---|
0.8966 | High Similarity | NPC88135 |
0.8276 | Intermediate Similarity | NPC127134 |
0.7647 | Intermediate Similarity | NPC140229 |
0.7586 | Intermediate Similarity | NPC110107 |
0.75 | Intermediate Similarity | NPC232172 |
0.7333 | Intermediate Similarity | NPC32280 |
0.7333 | Intermediate Similarity | NPC41485 |
0.7333 | Intermediate Similarity | NPC3693 |
0.7273 | Intermediate Similarity | NPC265882 |
0.7241 | Intermediate Similarity | NPC23508 |
0.7222 | Intermediate Similarity | NPC24967 |
0.7222 | Intermediate Similarity | NPC103612 |
0.7097 | Intermediate Similarity | NPC166804 |
0.7097 | Intermediate Similarity | NPC201132 |
0.697 | Remote Similarity | NPC127696 |
0.6944 | Remote Similarity | NPC325165 |
0.6875 | Remote Similarity | NPC248233 |
0.6875 | Remote Similarity | NPC143211 |
0.6857 | Remote Similarity | NPC108238 |
0.6774 | Remote Similarity | NPC35155 |
0.6765 | Remote Similarity | NPC5934 |
0.6667 | Remote Similarity | NPC203105 |
0.6667 | Remote Similarity | NPC55956 |
0.6667 | Remote Similarity | NPC281943 |
0.6667 | Remote Similarity | NPC317739 |
0.6667 | Remote Similarity | NPC8187 |
0.6585 | Remote Similarity | NPC325102 |
0.6571 | Remote Similarity | NPC40965 |
0.6571 | Remote Similarity | NPC12904 |
0.6562 | Remote Similarity | NPC211250 |
0.6471 | Remote Similarity | NPC312003 |
0.6389 | Remote Similarity | NPC178643 |
0.6389 | Remote Similarity | NPC286695 |
0.6389 | Remote Similarity | NPC217218 |
0.6389 | Remote Similarity | NPC168714 |
0.6389 | Remote Similarity | NPC322892 |
0.6389 | Remote Similarity | NPC35371 |
0.6389 | Remote Similarity | NPC41007 |
0.6364 | Remote Similarity | NPC272307 |
0.6341 | Remote Similarity | NPC159773 |
0.6316 | Remote Similarity | NPC321699 |
0.6304 | Remote Similarity | NPC55678 |
0.6286 | Remote Similarity | NPC21374 |
0.6279 | Remote Similarity | NPC51329 |
0.625 | Remote Similarity | NPC28246 |
0.625 | Remote Similarity | NPC225963 |
0.625 | Remote Similarity | NPC474205 |
0.6216 | Remote Similarity | NPC286498 |
0.6216 | Remote Similarity | NPC154396 |
0.6207 | Remote Similarity | NPC37493 |
0.6207 | Remote Similarity | NPC43196 |
0.6129 | Remote Similarity | NPC208021 |
0.6053 | Remote Similarity | NPC168052 |
0.6053 | Remote Similarity | NPC301398 |
0.6053 | Remote Similarity | NPC191084 |
0.6053 | Remote Similarity | NPC196442 |
0.6053 | Remote Similarity | NPC250870 |
0.6053 | Remote Similarity | NPC86545 |
0.6053 | Remote Similarity | NPC155872 |
0.6053 | Remote Similarity | NPC223374 |
0.6 | Remote Similarity | NPC180423 |
0.5938 | Remote Similarity | NPC8368 |
0.5897 | Remote Similarity | NPC80396 |
0.5897 | Remote Similarity | NPC80641 |
0.5897 | Remote Similarity | NPC313405 |
0.5897 | Remote Similarity | NPC154642 |
0.5897 | Remote Similarity | NPC5505 |
0.5862 | Remote Similarity | NPC137050 |
0.5854 | Remote Similarity | NPC81263 |
0.5854 | Remote Similarity | NPC94368 |
0.5833 | Remote Similarity | NPC287811 |
0.5833 | Remote Similarity | NPC302611 |
0.5814 | Remote Similarity | NPC144829 |
0.58 | Remote Similarity | NPC289979 |
0.58 | Remote Similarity | NPC53463 |
0.58 | Remote Similarity | NPC469937 |
0.58 | Remote Similarity | NPC320588 |
0.58 | Remote Similarity | NPC23155 |
0.5789 | Remote Similarity | NPC63354 |
0.5789 | Remote Similarity | NPC57499 |
0.5758 | Remote Similarity | NPC304786 |
0.575 | Remote Similarity | NPC128996 |
0.575 | Remote Similarity | NPC14608 |
0.5745 | Remote Similarity | NPC46254 |
0.5714 | Remote Similarity | NPC234005 |
0.5714 | Remote Similarity | NPC238135 |
0.5714 | Remote Similarity | NPC231957 |
0.5714 | Remote Similarity | NPC281043 |
0.5714 | Remote Similarity | NPC316272 |
0.5676 | Remote Similarity | NPC307739 |
0.5676 | Remote Similarity | NPC76217 |
0.5625 | Remote Similarity | NPC2419 |
0.561 | Remote Similarity | NPC226511 |
0.561 | Remote Similarity | NPC316546 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC281883 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 | NPD9636 | Phase 2 |
0.8276 | Intermediate Similarity | NPD8989 | Approved |
0.6765 | Remote Similarity | NPD901 | Approved |
0.6765 | Remote Similarity | NPD8856 | Phase 2 |
0.6667 | Remote Similarity | NPD900 | Approved |
0.6591 | Remote Similarity | NPD6125 | Clinical (unspecified phase) |
0.617 | Remote Similarity | NPD1400 | Approved |
0.617 | Remote Similarity | NPD1399 | Approved |
0.6 | Remote Similarity | NPD9191 | Approved |
0.5952 | Remote Similarity | NPD9456 | Approved |
0.5952 | Remote Similarity | NPD9457 | Approved |
0.5833 | Remote Similarity | NPD8203 | Approved |
0.5833 | Remote Similarity | NPD8206 | Approved |
0.5833 | Remote Similarity | NPD54 | Approved |
0.5833 | Remote Similarity | NPD55 | Approved |
0.5833 | Remote Similarity | NPD8204 | Approved |
0.58 | Remote Similarity | NPD3728 | Approved |
0.58 | Remote Similarity | NPD3730 | Approved |
0.575 | Remote Similarity | NPD9131 | Discovery |
0.5676 | Remote Similarity | NPD8205 | Approved |
0.5676 | Remote Similarity | NPD8202 | Approved |
PubChem CID   | 5541 |
ChEMBL   | CHEMBL1489254 |
ZINC   |
Molecular Weight:   | 218.08 |
ALogP:   | -0.2708 |
MLogP:   | 1.79 |
XLogP:   | 0.34 |
# Rotatable Bonds:   | 11 |
Polar Surface Area:   | 78.9 |
# H-Bond Aceptor:   | 6 |
# H-Bond Donor:   | 0 |
# Rings:   | 0 |
# Heavy Atoms:   | 15 |