Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT90 | Cell Line | DU-145 | Homo sapiens | GI50 | = | 5000 | nM | 19231864 |
NPT134 | Cell Line | SK-BR-3 | Homo sapiens | GI50 | = | 5000 | nM | 19515570 |
NPT858 | Cell Line | LNCaP | Homo sapiens | GI50 | = | 5000 | nM | 25356913 |
NPT2 | Others | Unspecified | GI50 | = | 5000 | nM | 25356913 | |
NPT146 | Cell Line | SK-OV-3 | Homo sapiens | GI50 | = | 5000 | nM | 25356913 |
NPT461 | Cell Line | PANC-1 | Homo sapiens | GI50 | = | 5000 | nM | 25356913 |
NPT111 | Cell Line | K562 | Homo sapiens | GI50 | = | 5000 | nM | Open TG-GATES in vivo data: Biochemistry |
NPT139 | Cell Line | HT-29 | Homo sapiens | GI50 | = | 5000 | nM | Open TG-GATES in vivo data: Biochemistry |
NPT170 | Cell Line | SK-MEL-28 | Homo sapiens | GI50 | = | 5000 | nM | Open TG-GATES in vivo data: Biochemistry |
NPT2 | Others | Unspecified | GI50 | = | 5000 | nM | Open TG-GATES in vivo data: Biochemistry | |
NPT114 | Cell Line | LoVo | Homo sapiens | GI50 | = | 5000 | nM | PubChem BioAssay data set |
NPT81 | Cell Line | A549 | Homo sapiens | GI50 | = | 5000 | nM | 15711537 |
NPT114 | Cell Line | LoVo | Homo sapiens | GI50 | = | 5000 | nM | 19581457 |
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 NPC89139 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 |
---|---|---|
0.9338 | High Similarity | NPC217656 |
0.8803 | High Similarity | NPC244700 |
0.8472 | Intermediate Similarity | NPC476408 |
0.8194 | Intermediate Similarity | NPC476528 |
0.8194 | Intermediate Similarity | NPC476433 |
0.8138 | Intermediate Similarity | NPC474986 |
0.8138 | Intermediate Similarity | NPC476013 |
0.8138 | Intermediate Similarity | NPC476522 |
0.8082 | Intermediate Similarity | NPC476521 |
0.8014 | Intermediate Similarity | NPC476520 |
0.7986 | Intermediate Similarity | NPC296437 |
0.7931 | Intermediate Similarity | NPC470266 |
0.7532 | Intermediate Similarity | NPC18308 |
0.7532 | Intermediate Similarity | NPC472832 |
0.75 | Intermediate Similarity | NPC472834 |
0.7342 | Intermediate Similarity | NPC472833 |
0.7101 | Intermediate Similarity | NPC164845 |
0.6879 | Remote Similarity | NPC473585 |
0.6818 | Remote Similarity | NPC265111 |
0.6791 | Remote Similarity | NPC87981 |
0.6791 | Remote Similarity | NPC174114 |
0.6522 | Remote Similarity | NPC476564 |
0.6433 | Remote Similarity | NPC33996 |
0.6405 | Remote Similarity | NPC104011 |
0.6392 | Remote Similarity | NPC129756 |
0.6352 | Remote Similarity | NPC317821 |
0.6294 | Remote Similarity | NPC4837 |
0.6294 | Remote Similarity | NPC312187 |
0.6286 | Remote Similarity | NPC18335 |
0.6272 | Remote Similarity | NPC93365 |
0.6271 | Remote Similarity | NPC313897 |
0.6271 | Remote Similarity | NPC317054 |
0.625 | Remote Similarity | NPC209525 |
0.625 | Remote Similarity | NPC161659 |
0.6218 | Remote Similarity | NPC57279 |
0.6173 | Remote Similarity | NPC314152 |
0.6173 | Remote Similarity | NPC229974 |
0.6159 | Remote Similarity | NPC189068 |
0.6121 | Remote Similarity | NPC219313 |
0.6121 | Remote Similarity | NPC309832 |
0.6098 | Remote Similarity | NPC21448 |
0.6098 | Remote Similarity | NPC107374 |
0.6098 | Remote Similarity | NPC156461 |
0.609 | Remote Similarity | NPC246193 |
0.6078 | Remote Similarity | NPC248007 |
0.6061 | Remote Similarity | NPC164665 |
0.6048 | Remote Similarity | NPC136349 |
0.604 | Remote Similarity | NPC68938 |
0.6024 | Remote Similarity | NPC269827 |
0.5988 | Remote Similarity | NPC121222 |
0.5988 | Remote Similarity | NPC239737 |
0.5976 | Remote Similarity | NPC161224 |
0.5967 | Remote Similarity | NPC189261 |
0.5954 | Remote Similarity | NPC195140 |
0.5951 | Remote Similarity | NPC167285 |
0.5941 | Remote Similarity | NPC328479 |
0.5906 | Remote Similarity | NPC302778 |
0.5906 | Remote Similarity | NPC212551 |
0.5882 | Remote Similarity | NPC185991 |
0.5882 | Remote Similarity | NPC211025 |
0.5882 | Remote Similarity | NPC139776 |
0.5882 | Remote Similarity | NPC85689 |
0.5872 | Remote Similarity | NPC174802 |
0.5854 | Remote Similarity | NPC76544 |
0.5854 | Remote Similarity | NPC226184 |
0.5848 | Remote Similarity | NPC472816 |
0.5848 | Remote Similarity | NPC321814 |
0.5848 | Remote Similarity | NPC207633 |
0.5838 | Remote Similarity | NPC224076 |
0.5828 | Remote Similarity | NPC189314 |
0.5814 | Remote Similarity | NPC164952 |
0.5814 | Remote Similarity | NPC130586 |
0.5805 | Remote Similarity | NPC226245 |
0.5778 | Remote Similarity | NPC290959 |
0.5775 | Remote Similarity | NPC24589 |
0.5747 | Remote Similarity | NPC52238 |
0.5731 | Remote Similarity | NPC150853 |
0.5714 | Remote Similarity | NPC316618 |
0.5714 | Remote Similarity | NPC313754 |
0.5714 | Remote Similarity | NPC311197 |
0.5714 | Remote Similarity | NPC54320 |
0.5691 | Remote Similarity | NPC326082 |
0.5684 | Remote Similarity | NPC282458 |
0.5684 | Remote Similarity | NPC78941 |
0.5667 | Remote Similarity | NPC325906 |
0.5642 | Remote Similarity | NPC323091 |
0.5625 | Remote Similarity | NPC14330 |
0.5616 | Remote Similarity | NPC476099 |
0.5611 | Remote Similarity | NPC324484 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC89139 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 |
---|---|---|---|
0.7279 | Intermediate Similarity | NPD1058 | Discontinued |
0.6824 | Remote Similarity | NPD870 | Clinical (unspecified phase) |
0.6623 | Remote Similarity | NPD248 | Discontinued |
0.6604 | Remote Similarity | NPD7158 | Phase 1 |
0.6467 | Remote Similarity | NPD9408 | Phase 3 |
0.6453 | Remote Similarity | NPD2647 | Phase 3 |
0.6447 | Remote Similarity | NPD9633 | Phase 3 |
0.6335 | Remote Similarity | NPD4240 | Approved |
0.6319 | Remote Similarity | NPD5683 | Clinical (unspecified phase) |
0.6319 | Remote Similarity | NPD5682 | Phase 3 |
0.6319 | Remote Similarity | NPD5684 | Clinical (unspecified phase) |
0.6287 | Remote Similarity | NPD3107 | Discontinued |
0.6286 | Remote Similarity | NPD8836 | Approved |
0.6272 | Remote Similarity | NPD2646 | Discontinued |
0.6272 | Remote Similarity | NPD546 | Clinical (unspecified phase) |
0.625 | Remote Similarity | NPD193 | Suspended |
0.6226 | Remote Similarity | NPD799 | Phase 1 |
0.6205 | Remote Similarity | NPD3708 | Phase 2 |
0.6182 | Remote Similarity | NPD4183 | Phase 3 |
0.6182 | Remote Similarity | NPD4182 | Phase 3 |
0.618 | Remote Similarity | NPD5666 | Phase 2 |
0.6173 | Remote Similarity | NPD185 | Approved |
0.6149 | Remote Similarity | NPD3695 | Approved |
0.6149 | Remote Similarity | NPD3696 | Approved |
0.6139 | Remote Similarity | NPD4763 | Clinical (unspecified phase) |
0.6114 | Remote Similarity | NPD7988 | Suspended |
0.6098 | Remote Similarity | NPD250 | Approved |
0.6098 | Remote Similarity | NPD166 | Approved |
0.6098 | Remote Similarity | NPD249 | Approved |
0.6078 | Remote Similarity | NPD9084 | Phase 2 |
0.6048 | Remote Similarity | NPD548 | Clinical (unspecified phase) |
0.6024 | Remote Similarity | NPD195 | Approved |
0.6024 | Remote Similarity | NPD186 | Discovery |
0.6023 | Remote Similarity | NPD1313 | Approved |
0.6012 | Remote Similarity | NPD5321 | Phase 3 |
0.5988 | Remote Similarity | NPD2624 | Phase 2 |
0.5969 | Remote Similarity | NPD7023 | Clinical (unspecified phase) |
0.5964 | Remote Similarity | NPD1730 | Discontinued |
0.5946 | Remote Similarity | NPD2456 | Phase 2 |
0.5946 | Remote Similarity | NPD2457 | Phase 2 |
0.5943 | Remote Similarity | NPD3083 | Approved |
0.5943 | Remote Similarity | NPD6074 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD757 | Phase 3 |
0.5906 | Remote Similarity | NPD1750 | Clinical (unspecified phase) |
0.5906 | Remote Similarity | NPD1369 | Phase 2 |
0.5896 | Remote Similarity | NPD1732 | Phase 3 |
0.5882 | Remote Similarity | NPD283 | Approved |
0.5882 | Remote Similarity | NPD4902 | Discontinued |
0.5872 | Remote Similarity | NPD339 | Approved |
0.5867 | Remote Similarity | NPD6129 | Phase 2 |
0.5864 | Remote Similarity | NPD6112 | Approved |
0.5855 | Remote Similarity | NPD580 | Discontinued |
0.5852 | Remote Similarity | NPD2593 | Clinical (unspecified phase) |
0.585 | Remote Similarity | NPD3860 | Discontinued |
0.5843 | Remote Similarity | NPD1333 | Phase 3 |
0.5842 | Remote Similarity | NPD6761 | Discontinued |
0.5839 | Remote Similarity | NPD9484 | Clinical (unspecified phase) |
0.5838 | Remote Similarity | NPD169 | Phase 2 |
0.5828 | Remote Similarity | NPD8833 | Approved |
0.5828 | Remote Similarity | NPD8831 | Approved |
0.5818 | Remote Similarity | NPD2253 | Discontinued |
0.5814 | Remote Similarity | NPD213 | Clinical (unspecified phase) |
0.5814 | Remote Similarity | NPD242 | Approved |
0.5814 | Remote Similarity | NPD338 | Approved |
0.5814 | Remote Similarity | NPD214 | Approved |
0.5813 | Remote Similarity | NPD545 | Clinical (unspecified phase) |
0.5812 | Remote Similarity | NPD6619 | Phase 3 |
0.581 | Remote Similarity | NPD6794 | Approved |
0.5808 | Remote Similarity | NPD171 | Discontinued |
0.58 | Remote Similarity | NPD6520 | Phase 3 |
0.58 | Remote Similarity | NPD6521 | Phase 3 |
0.5798 | Remote Similarity | NPD3378 | Clinical (unspecified phase) |
0.5796 | Remote Similarity | NPD1085 | Approved |
0.5796 | Remote Similarity | NPD1775 | Approved |
0.5795 | Remote Similarity | NPD516 | Clinical (unspecified phase) |
0.5789 | Remote Similarity | NPD578 | Discontinued |
0.5781 | Remote Similarity | NPD3485 | Clinical (unspecified phase) |
0.5779 | Remote Similarity | NPD2221 | Clinical (unspecified phase) |
0.5776 | Remote Similarity | NPD9083 | Clinical (unspecified phase) |
0.5765 | Remote Similarity | NPD4709 | Approved |
0.5754 | Remote Similarity | NPD8120 | Approved |
0.5754 | Remote Similarity | NPD8121 | Phase 3 |
0.5753 | Remote Similarity | NPD2526 | Phase 2 |
0.5753 | Remote Similarity | NPD2523 | Phase 2 |
0.5749 | Remote Similarity | NPD9704 | Approved |
0.5742 | Remote Similarity | NPD4262 | Discontinued |
0.5738 | Remote Similarity | NPD7006 | Approved |
0.573 | Remote Similarity | NPD1015 | Phase 2 |
0.573 | Remote Similarity | NPD2930 | Clinical (unspecified phase) |
0.573 | Remote Similarity | NPD1016 | Phase 2 |
0.5729 | Remote Similarity | NPD3431 | Approved |
0.5729 | Remote Similarity | NPD2965 | Clinical (unspecified phase) |
0.5729 | Remote Similarity | NPD3430 | Approved |
0.5722 | Remote Similarity | NPD1215 | Discontinued |
0.5714 | Remote Similarity | NPD218 | Approved |
0.5714 | Remote Similarity | NPD220 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD217 | Approved |
0.5714 | Remote Similarity | NPD216 | Approved |
0.5714 | Remote Similarity | NPD6417 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD5337 | Phase 1 |
0.5714 | Remote Similarity | NPD1567 | Clinical (unspecified phase) |
0.5714 | Remote Similarity | NPD219 | Phase 3 |
0.5714 | Remote Similarity | NPD6721 | Phase 1 |
0.5714 | Remote Similarity | NPD5336 | Phase 1 |
0.5714 | Remote Similarity | NPD5969 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD5508 | Phase 1 |
0.5699 | Remote Similarity | NPD5962 | Phase 2 |
0.5691 | Remote Similarity | NPD2333 | Discontinued |
0.569 | Remote Similarity | NPD2524 | Discontinued |
0.5683 | Remote Similarity | NPD5996 | Clinical (unspecified phase) |
0.5676 | Remote Similarity | NPD7111 | Discontinued |
0.5671 | Remote Similarity | NPD2602 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD1777 | Approved |
0.5667 | Remote Similarity | NPD1776 | Approved |
0.5667 | Remote Similarity | NPD5269 | Clinical (unspecified phase) |
0.5659 | Remote Similarity | NPD2875 | Clinical (unspecified phase) |
0.565 | Remote Similarity | NPD5012 | Phase 2 |
0.5648 | Remote Similarity | NPD7722 | Suspended |
0.5648 | Remote Similarity | NPD4615 | Phase 2 |
0.5647 | Remote Similarity | NPD7531 | Clinical (unspecified phase) |
0.5645 | Remote Similarity | NPD3341 | Clinical (unspecified phase) |
0.5644 | Remote Similarity | NPD1119 | Phase 2 |
0.564 | Remote Similarity | NPD6850 | Phase 2 |
0.564 | Remote Similarity | NPD6849 | Phase 2 |
0.5622 | Remote Similarity | NPD7323 | Phase 2 |
0.5606 | Remote Similarity | NPD6816 | Phase 3 |
0.5602 | Remote Similarity | NPD6418 | Phase 1 |
PubChem CID   | 11281682 |
ChEMBL   | CHEMBL524148 |
ZINC   |
Molecular Weight:   | 423.30 |
ALogP:   | 0.7436 |
MLogP:   | 3.55 |
XLogP:   | 7.451 |
# Rotatable Bonds:   | 8 |
Polar Surface Area:   | 67.07 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 6 |
# Heavy Atoms:   | 31 |