Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT306 | Cell Line | PC-3 | Homo sapiens | IC50 | = | 600 | nM | 19534534 |
NPT5520 | Cell Line | DuPro | Homo sapiens | IC50 | = | 600 | nM | 19534534 |
NPT6 | Organism | Plasmodium falciparum | Plasmodium falciparum | IC50 | = | 14000 | nM | 19299148 |
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 NPC476537 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 | NPC216415 |
0.7037 | Intermediate Similarity | NPC241279 |
0.7037 | Intermediate Similarity | NPC319114 |
0.6923 | Remote Similarity | NPC314510 |
0.6852 | Remote Similarity | NPC321202 |
0.6721 | Remote Similarity | NPC474322 |
0.6667 | Remote Similarity | NPC31557 |
0.6667 | Remote Similarity | NPC28394 |
0.6613 | Remote Similarity | NPC270041 |
0.6471 | Remote Similarity | NPC315744 |
0.6452 | Remote Similarity | NPC123814 |
0.6441 | Remote Similarity | NPC289484 |
0.6441 | Remote Similarity | NPC319709 |
0.6364 | Remote Similarity | NPC254541 |
0.6364 | Remote Similarity | NPC320598 |
0.6333 | Remote Similarity | NPC96966 |
0.6333 | Remote Similarity | NPC121062 |
0.6333 | Remote Similarity | NPC29222 |
0.6324 | Remote Similarity | NPC145627 |
0.6308 | Remote Similarity | NPC8979 |
0.6301 | Remote Similarity | NPC476695 |
0.6301 | Remote Similarity | NPC476694 |
0.6301 | Remote Similarity | NPC476696 |
0.6296 | Remote Similarity | NPC277333 |
0.6232 | Remote Similarity | NPC313420 |
0.6232 | Remote Similarity | NPC57420 |
0.623 | Remote Similarity | NPC80350 |
0.6212 | Remote Similarity | NPC176164 |
0.6212 | Remote Similarity | NPC189301 |
0.6182 | Remote Similarity | NPC326791 |
0.6143 | Remote Similarity | NPC262615 |
0.6129 | Remote Similarity | NPC329181 |
0.6129 | Remote Similarity | NPC319110 |
0.6111 | Remote Similarity | NPC470110 |
0.6111 | Remote Similarity | NPC74599 |
0.6081 | Remote Similarity | NPC306973 |
0.6061 | Remote Similarity | NPC471605 |
0.6061 | Remote Similarity | NPC471443 |
0.6027 | Remote Similarity | NPC268922 |
0.6 | Remote Similarity | NPC474468 |
0.5972 | Remote Similarity | NPC470109 |
0.5949 | Remote Similarity | NPC475363 |
0.5949 | Remote Similarity | NPC473971 |
0.5949 | Remote Similarity | NPC473972 |
0.5946 | Remote Similarity | NPC475694 |
0.5946 | Remote Similarity | NPC473710 |
0.5915 | Remote Similarity | NPC41429 |
0.5893 | Remote Similarity | NPC473035 |
0.589 | Remote Similarity | NPC471418 |
0.589 | Remote Similarity | NPC195165 |
0.589 | Remote Similarity | NPC250953 |
0.5857 | Remote Similarity | NPC17455 |
0.5833 | Remote Similarity | NPC470108 |
0.5823 | Remote Similarity | NPC191774 |
0.5821 | Remote Similarity | NPC278209 |
0.5806 | Remote Similarity | NPC193872 |
0.5797 | Remote Similarity | NPC319131 |
0.5789 | Remote Similarity | NPC167301 |
0.5789 | Remote Similarity | NPC55274 |
0.5769 | Remote Similarity | NPC477002 |
0.5758 | Remote Similarity | NPC471423 |
0.5758 | Remote Similarity | NPC471442 |
0.5694 | Remote Similarity | NPC474928 |
0.5658 | Remote Similarity | NPC477200 |
0.5658 | Remote Similarity | NPC328457 |
0.5652 | Remote Similarity | NPC321536 |
0.5652 | Remote Similarity | NPC317143 |
0.5652 | Remote Similarity | NPC321468 |
0.5652 | Remote Similarity | NPC316826 |
0.5652 | Remote Similarity | NPC327748 |
0.5625 | Remote Similarity | NPC37681 |
0.5625 | Remote Similarity | NPC110136 |
0.5616 | Remote Similarity | NPC303798 |
0.5616 | Remote Similarity | NPC286851 |
0.5614 | Remote Similarity | NPC111686 |
0.5606 | Remote Similarity | NPC277072 |
0.5606 | Remote Similarity | NPC178263 |
0.56 | Remote Similarity | NPC472579 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC476537 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 |
---|---|---|---|
0.7101 | Intermediate Similarity | NPD2704 | Phase 3 |
0.7101 | Intermediate Similarity | NPD2702 | Phase 1 |
0.7031 | Intermediate Similarity | NPD1155 | Discontinued |
0.6667 | Remote Similarity | NPD3214 | Discontinued |
0.6667 | Remote Similarity | NPD6944 | Clinical (unspecified phase) |
0.6528 | Remote Similarity | NPD5386 | Phase 2 |
0.6481 | Remote Similarity | NPD2707 | Clinical (unspecified phase) |
0.6452 | Remote Similarity | NPD3215 | Phase 1 |
0.6441 | Remote Similarity | NPD3211 | Approved |
0.6429 | Remote Similarity | NPD9227 | Discontinued |
0.625 | Remote Similarity | NPD3213 | Discontinued |
0.6163 | Remote Similarity | NPD6699 | Clinical (unspecified phase) |
0.6143 | Remote Similarity | NPD6437 | Approved |
0.6143 | Remote Similarity | NPD6438 | Approved |
0.6111 | Remote Similarity | NPD9451 | Clinical (unspecified phase) |
0.6081 | Remote Similarity | NPD5382 | Phase 2 |
0.6049 | Remote Similarity | NPD4829 | Discontinued |
0.6 | Remote Similarity | NPD1154 | Phase 3 |
0.6 | Remote Similarity | NPD1152 | Phase 2 |
0.5902 | Remote Similarity | NPD379 | Clinical (unspecified phase) |
0.5833 | Remote Similarity | NPD2703 | Discontinued |
0.5823 | Remote Similarity | NPD4278 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD362 | Phase 1 |
0.5783 | Remote Similarity | NPD3733 | Clinical (unspecified phase) |
0.5753 | Remote Similarity | NPD5380 | Approved |
0.569 | Remote Similarity | NPD2273 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD399 | Approved |
0.5645 | Remote Similarity | NPD400 | Approved |
0.5645 | Remote Similarity | NPD398 | Approved |
PubChem CID   | 5315523 |
ChEMBL   | CHEMBL562156 |
ZINC   |
Molecular Weight:   | 438.43 |
ALogP:   | -6.0697 |
MLogP:   | 3.77 |
XLogP:   | 7.099 |
# Rotatable Bonds:   | 14 |
Polar Surface Area:   | 68.68 |
# H-Bond Aceptor:   | 5 |
# H-Bond Donor:   | 4 |
# Rings:   | 1 |
# Heavy Atoms:   | 31 |