Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 2400 | nM | PubChem BioAssay data set | |
NPT2 | Others | Unspecified | Inhibition | = | 96.2 | % | PubChem BioAssay data set | |
NPT71 | Cell Line | HEK293 | Homo sapiens | IC50 | = | 13700 | nM | PubChem BioAssay data set |
NPT2 | Others | Unspecified | Inhibition | = | 45.1 | % | 22194678 |
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 NPC24589 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 |
---|---|---|
0.9819 | High Similarity | NPC78941 |
0.9819 | High Similarity | NPC282458 |
0.9106 | High Similarity | NPC5802 |
0.9056 | High Similarity | NPC157821 |
0.905 | High Similarity | NPC276373 |
0.8314 | Intermediate Similarity | NPC290959 |
0.7892 | Intermediate Similarity | NPC309832 |
0.7892 | Intermediate Similarity | NPC219313 |
0.7831 | Intermediate Similarity | NPC189068 |
0.7771 | Intermediate Similarity | NPC156461 |
0.7771 | Intermediate Similarity | NPC21448 |
0.7771 | Intermediate Similarity | NPC107374 |
0.7744 | Intermediate Similarity | NPC317821 |
0.7725 | Intermediate Similarity | NPC164665 |
0.7684 | Intermediate Similarity | NPC325906 |
0.7679 | Intermediate Similarity | NPC269827 |
0.7651 | Intermediate Similarity | NPC229974 |
0.7627 | Intermediate Similarity | NPC324484 |
0.7616 | Intermediate Similarity | NPC302778 |
0.7616 | Intermediate Similarity | NPC212551 |
0.7572 | Intermediate Similarity | NPC174802 |
0.7571 | Intermediate Similarity | NPC323091 |
0.753 | Intermediate Similarity | NPC209525 |
0.753 | Intermediate Similarity | NPC161659 |
0.7529 | Intermediate Similarity | NPC224076 |
0.7527 | Intermediate Similarity | NPC313897 |
0.7514 | Intermediate Similarity | NPC130586 |
0.7514 | Intermediate Similarity | NPC164952 |
0.75 | Intermediate Similarity | NPC85689 |
0.75 | Intermediate Similarity | NPC211025 |
0.75 | Intermediate Similarity | NPC185991 |
0.7486 | Intermediate Similarity | NPC226245 |
0.7486 | Intermediate Similarity | NPC239737 |
0.7457 | Intermediate Similarity | NPC321814 |
0.7457 | Intermediate Similarity | NPC472816 |
0.744 | Intermediate Similarity | NPC314152 |
0.7399 | Intermediate Similarity | NPC161224 |
0.7386 | Intermediate Similarity | NPC316618 |
0.7384 | Intermediate Similarity | NPC136349 |
0.7365 | Intermediate Similarity | NPC129756 |
0.7341 | Intermediate Similarity | NPC150853 |
0.7326 | Intermediate Similarity | NPC121222 |
0.7257 | Intermediate Similarity | NPC328479 |
0.7257 | Intermediate Similarity | NPC207633 |
0.7247 | Intermediate Similarity | NPC195140 |
0.7243 | Intermediate Similarity | NPC326529 |
0.7204 | Intermediate Similarity | NPC324198 |
0.7204 | Intermediate Similarity | NPC319100 |
0.7135 | Intermediate Similarity | NPC313514 |
0.712 | Intermediate Similarity | NPC326082 |
0.7112 | Intermediate Similarity | NPC189261 |
0.7101 | Intermediate Similarity | NPC33996 |
0.7095 | Intermediate Similarity | NPC311197 |
0.7095 | Intermediate Similarity | NPC313754 |
0.7095 | Intermediate Similarity | NPC54320 |
0.7039 | Intermediate Similarity | NPC52238 |
0.7 | Intermediate Similarity | NPC93365 |
0.6982 | Remote Similarity | NPC320818 |
0.6919 | Remote Similarity | NPC261595 |
0.6882 | Remote Similarity | NPC324033 |
0.6882 | Remote Similarity | NPC321458 |
0.6778 | Remote Similarity | NPC321052 |
0.6494 | Remote Similarity | NPC61198 |
0.6484 | Remote Similarity | NPC326694 |
0.6437 | Remote Similarity | NPC262926 |
0.642 | Remote Similarity | NPC30326 |
0.6389 | Remote Similarity | NPC274384 |
0.6389 | Remote Similarity | NPC89147 |
0.6354 | Remote Similarity | NPC232408 |
0.6354 | Remote Similarity | NPC64705 |
0.6333 | Remote Similarity | NPC251233 |
0.6333 | Remote Similarity | NPC211820 |
0.6327 | Remote Similarity | NPC164845 |
0.6301 | Remote Similarity | NPC246193 |
0.6298 | Remote Similarity | NPC317746 |
0.6298 | Remote Similarity | NPC177169 |
0.6286 | Remote Similarity | NPC319221 |
0.6243 | Remote Similarity | NPC318590 |
0.6239 | Remote Similarity | NPC21461 |
0.623 | Remote Similarity | NPC14590 |
0.6229 | Remote Similarity | NPC324009 |
0.6222 | Remote Similarity | NPC186619 |
0.6188 | Remote Similarity | NPC315642 |
0.6188 | Remote Similarity | NPC74306 |
0.617 | Remote Similarity | NPC472834 |
0.6138 | Remote Similarity | NPC472833 |
0.6126 | Remote Similarity | NPC472832 |
0.6126 | Remote Similarity | NPC18308 |
0.6096 | Remote Similarity | NPC160666 |
0.6081 | Remote Similarity | NPC250178 |
0.6051 | Remote Similarity | NPC33382 |
0.6029 | Remote Similarity | NPC265111 |
0.602 | Remote Similarity | NPC125659 |
0.602 | Remote Similarity | NPC168702 |
0.6017 | Remote Similarity | NPC158055 |
0.599 | Remote Similarity | NPC473585 |
0.596 | Remote Similarity | NPC222174 |
0.5953 | Remote Similarity | NPC103388 |
0.5846 | Remote Similarity | NPC321393 |
0.5843 | Remote Similarity | NPC104011 |
0.5826 | Remote Similarity | NPC107160 |
0.5814 | Remote Similarity | NPC327579 |
0.5812 | Remote Similarity | NPC473646 |
0.5806 | Remote Similarity | NPC217656 |
0.5793 | Remote Similarity | NPC476564 |
0.5778 | Remote Similarity | NPC57279 |
0.5775 | Remote Similarity | NPC89139 |
0.5749 | Remote Similarity | NPC150447 |
0.5739 | Remote Similarity | NPC248007 |
0.5706 | Remote Similarity | NPC174114 |
0.5706 | Remote Similarity | NPC87981 |
0.5684 | Remote Similarity | NPC244700 |
0.5676 | Remote Similarity | NPC296437 |
0.5668 | Remote Similarity | NPC476433 |
0.5668 | Remote Similarity | NPC476528 |
0.565 | Remote Similarity | NPC180493 |
0.5645 | Remote Similarity | NPC470266 |
0.5638 | Remote Similarity | NPC474986 |
0.5638 | Remote Similarity | NPC476520 |
0.5638 | Remote Similarity | NPC476522 |
0.5638 | Remote Similarity | NPC324815 |
0.5638 | Remote Similarity | NPC476013 |
0.5632 | Remote Similarity | NPC476408 |
0.5608 | Remote Similarity | NPC476521 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC24589 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 |
---|---|---|---|
0.8222 | Intermediate Similarity | NPD5683 | Clinical (unspecified phase) |
0.8222 | Intermediate Similarity | NPD5684 | Clinical (unspecified phase) |
0.8222 | Intermediate Similarity | NPD5682 | Phase 3 |
0.8023 | Intermediate Similarity | NPD3083 | Approved |
0.7929 | Intermediate Similarity | NPD3107 | Discontinued |
0.7895 | Intermediate Similarity | NPD2646 | Discontinued |
0.7771 | Intermediate Similarity | NPD249 | Approved |
0.7771 | Intermediate Similarity | NPD250 | Approved |
0.7684 | Intermediate Similarity | NPD1777 | Approved |
0.7684 | Intermediate Similarity | NPD1776 | Approved |
0.7679 | Intermediate Similarity | NPD195 | Approved |
0.7679 | Intermediate Similarity | NPD186 | Discovery |
0.7616 | Intermediate Similarity | NPD1369 | Phase 2 |
0.7586 | Intermediate Similarity | NPD2624 | Phase 2 |
0.7584 | Intermediate Similarity | NPD7988 | Suspended |
0.7572 | Intermediate Similarity | NPD339 | Approved |
0.7529 | Intermediate Similarity | NPD169 | Phase 2 |
0.7527 | Intermediate Similarity | NPD5666 | Phase 2 |
0.7514 | Intermediate Similarity | NPD1750 | Clinical (unspecified phase) |
0.7514 | Intermediate Similarity | NPD338 | Approved |
0.75 | Intermediate Similarity | NPD283 | Approved |
0.7444 | Intermediate Similarity | NPD2647 | Phase 3 |
0.744 | Intermediate Similarity | NPD185 | Approved |
0.7414 | Intermediate Similarity | NPD242 | Approved |
0.7386 | Intermediate Similarity | NPD1732 | Phase 3 |
0.7384 | Intermediate Similarity | NPD548 | Clinical (unspecified phase) |
0.7353 | Intermediate Similarity | NPD166 | Approved |
0.7341 | Intermediate Similarity | NPD3708 | Phase 2 |
0.7321 | Intermediate Similarity | NPD193 | Suspended |
0.7263 | Intermediate Similarity | NPD6417 | Clinical (unspecified phase) |
0.7251 | Intermediate Similarity | NPD7158 | Phase 1 |
0.7204 | Intermediate Similarity | NPD4171 | Clinical (unspecified phase) |
0.7135 | Intermediate Similarity | NPD7138 | Phase 2 |
0.7095 | Intermediate Similarity | NPD219 | Phase 3 |
0.7095 | Intermediate Similarity | NPD220 | Clinical (unspecified phase) |
0.7095 | Intermediate Similarity | NPD217 | Approved |
0.7095 | Intermediate Similarity | NPD216 | Approved |
0.7095 | Intermediate Similarity | NPD218 | Approved |
0.7 | Intermediate Similarity | NPD4716 | Approved |
0.7 | Intermediate Similarity | NPD546 | Clinical (unspecified phase) |
0.6984 | Remote Similarity | NPD1412 | Clinical (unspecified phase) |
0.6963 | Remote Similarity | NPD4744 | Clinical (unspecified phase) |
0.6927 | Remote Similarity | NPD214 | Approved |
0.6927 | Remote Similarity | NPD213 | Clinical (unspecified phase) |
0.6919 | Remote Similarity | NPD3696 | Approved |
0.6919 | Remote Similarity | NPD3695 | Approved |
0.6919 | Remote Similarity | NPD247 | Clinical (unspecified phase) |
0.6897 | Remote Similarity | NPD4240 | Approved |
0.6886 | Remote Similarity | NPD248 | Discontinued |
0.6751 | Remote Similarity | NPD2630 | Approved |
0.6751 | Remote Similarity | NPD2631 | Clinical (unspecified phase) |
0.6751 | Remote Similarity | NPD2632 | Approved |
0.6722 | Remote Similarity | NPD7842 | Phase 2 |
0.6718 | Remote Similarity | NPD1692 | Approved |
0.6627 | Remote Similarity | NPD9633 | Phase 3 |
0.6623 | Remote Similarity | NPD8291 | Clinical (unspecified phase) |
0.6613 | Remote Similarity | NPD516 | Clinical (unspecified phase) |
0.6588 | Remote Similarity | NPD9632 | Phase 3 |
0.6568 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.655 | Remote Similarity | NPD4054 | Clinical (unspecified phase) |
0.655 | Remote Similarity | NPD8375 | Approved |
0.6538 | Remote Similarity | NPD2965 | Clinical (unspecified phase) |
0.6534 | Remote Similarity | NPD549 | Approved |
0.6494 | Remote Similarity | NPD252 | Clinical (unspecified phase) |
0.6494 | Remote Similarity | NPD8371 | Clinical (unspecified phase) |
0.645 | Remote Similarity | NPD9408 | Phase 3 |
0.6429 | Remote Similarity | NPD2876 | Phase 3 |
0.6429 | Remote Similarity | NPD2877 | Clinical (unspecified phase) |
0.6429 | Remote Similarity | NPD7323 | Phase 2 |
0.6402 | Remote Similarity | NPD2902 | Phase 2 |
0.6402 | Remote Similarity | NPD2903 | Clinical (unspecified phase) |
0.6368 | Remote Similarity | NPD2824 | Phase 2 |
0.6359 | Remote Similarity | NPD5080 | Phase 2 |
0.633 | Remote Similarity | NPD4074 | Clinical (unspecified phase) |
0.6319 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.6313 | Remote Similarity | NPD5079 | Phase 2 |
0.6313 | Remote Similarity | NPD1430 | Approved |
0.6313 | Remote Similarity | NPD1431 | Approved |
0.6304 | Remote Similarity | NPD3085 | Phase 1 |
0.627 | Remote Similarity | NPD3086 | Phase 3 |
0.6255 | Remote Similarity | NPD6023 | Discontinued |
0.625 | Remote Similarity | NPD194 | Clinical (unspecified phase) |
0.6237 | Remote Similarity | NPD536 | Clinical (unspecified phase) |
0.622 | Remote Similarity | NPD5665 | Clinical (unspecified phase) |
0.6188 | Remote Similarity | NPD582 | Approved |
0.6175 | Remote Similarity | NPD1730 | Discontinued |
0.6145 | Remote Similarity | NPD1808 | Phase 1 |
0.6124 | Remote Similarity | NPD1120 | Approved |
0.6124 | Remote Similarity | NPD1121 | Approved |
0.612 | Remote Similarity | NPD171 | Discontinued |
0.61 | Remote Similarity | NPD1046 | Clinical (unspecified phase) |
0.6064 | Remote Similarity | NPD231 | Clinical (unspecified phase) |
0.6064 | Remote Similarity | NPD9605 | Phase 3 |
0.6017 | Remote Similarity | NPD6840 | Approved |
0.6009 | Remote Similarity | NPD4459 | Clinical (unspecified phase) |
0.6009 | Remote Similarity | NPD4495 | Phase 1 |
0.6009 | Remote Similarity | NPD4458 | Phase 2 |
0.5959 | Remote Similarity | NPD5321 | Phase 3 |
0.5956 | Remote Similarity | NPD2253 | Discontinued |
0.5944 | Remote Similarity | NPD535 | Approved |
0.5922 | Remote Similarity | NPD1063 | Phase 2 |
0.59 | Remote Similarity | NPD8250 | Phase 2 |
0.5899 | Remote Similarity | NPD282 | Approved |
0.5897 | Remote Similarity | NPD8409 | Suspended |
0.5889 | Remote Similarity | NPD1119 | Phase 2 |
0.5855 | Remote Similarity | NPD5337 | Phase 1 |
0.5855 | Remote Similarity | NPD5336 | Phase 1 |
0.5848 | Remote Similarity | NPD9606 | Approved |
0.5842 | Remote Similarity | NPD353 | Discontinued |
0.5833 | Remote Similarity | NPD1058 | Discontinued |
0.5833 | Remote Similarity | NPD5486 | Discontinued |
0.5816 | Remote Similarity | NPD2593 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD9607 | Approved |
0.5806 | Remote Similarity | NPD4714 | Approved |
0.5806 | Remote Similarity | NPD4715 | Clinical (unspecified phase) |
0.5806 | Remote Similarity | NPD34 | Approved |
0.5806 | Remote Similarity | NPD4713 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD2152 | Clinical (unspecified phase) |
0.5753 | Remote Similarity | NPD5458 | Discontinued |
0.5746 | Remote Similarity | NPD209 | Clinical (unspecified phase) |
0.5739 | Remote Similarity | NPD9084 | Phase 2 |
0.5738 | Remote Similarity | NPD6112 | Approved |
0.5732 | Remote Similarity | NPD8373 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD1128 | Approved |
0.573 | Remote Similarity | NPD1127 | Approved |
0.5678 | Remote Similarity | NPD7502 | Clinical (unspecified phase) |
0.5673 | Remote Similarity | NPD9584 | Phase 2 |
0.5665 | Remote Similarity | NPD1037 | Clinical (unspecified phase) |
0.565 | Remote Similarity | NPD78 | Approved |
0.565 | Remote Similarity | NPD9544 | Approved |
0.5639 | Remote Similarity | NPD8271 | Discontinued |
0.5636 | Remote Similarity | NPD7103 | Approved |
0.5618 | Remote Similarity | NPD281 | Approved |
0.5604 | Remote Similarity | NPD547 | Clinical (unspecified phase) |
PubChem CID   | 76310273 |
ChEMBL   | CHEMBL3109446 |
ZINC   |
Molecular Weight:   | 453.15 |
ALogP:   | -3.383 |
MLogP:   | 1.9 |
XLogP:   | -1.904 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 193.53 |
# H-Bond Aceptor:   | 14 |
# H-Bond Donor:   | 4 |
# Rings:   | 5 |
# Heavy Atoms:   | 32 |