Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2 | Others | Unspecified | IC50 | = | 3100 | nM | 8984155 | |
NPT2 | Others | Unspecified | Ratio IC50 | = | 0.1 | 10757720 | ||
NPT4490 | Cell Line | IMR-90 | Homo sapiens | IC50 | = | 300 | nM | 14987059 |
NPT2 | Others | Unspecified | IC50 | = | 4600 | nM | 20189404 | |
NPT1383 | Cell Line | A2058 | Homo sapiens | IC50 | = | 3800 | nM | 22560833 |
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 NPC470964 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 | NPC311648 |
0.9811 | High Similarity | NPC48968 |
0.9811 | High Similarity | NPC594 |
0.9808 | High Similarity | NPC474513 |
0.9808 | High Similarity | NPC152668 |
0.9808 | High Similarity | NPC470963 |
0.9808 | High Similarity | NPC146551 |
0.9245 | High Similarity | NPC48058 |
0.9038 | High Similarity | NPC471959 |
0.9038 | High Similarity | NPC170776 |
0.9038 | High Similarity | NPC256656 |
0.9038 | High Similarity | NPC294278 |
0.9038 | High Similarity | NPC165447 |
0.9038 | High Similarity | NPC224148 |
0.9038 | High Similarity | NPC475477 |
0.9038 | High Similarity | NPC89824 |
0.9038 | High Similarity | NPC329608 |
0.9038 | High Similarity | NPC477723 |
0.9038 | High Similarity | NPC9273 |
0.9038 | High Similarity | NPC76198 |
0.9038 | High Similarity | NPC197272 |
0.8966 | High Similarity | NPC470965 |
0.8947 | High Similarity | NPC471278 |
0.8846 | High Similarity | NPC477727 |
0.8846 | High Similarity | NPC471281 |
0.8846 | High Similarity | NPC199286 |
0.8793 | High Similarity | NPC475984 |
0.8679 | High Similarity | NPC55383 |
0.8654 | High Similarity | NPC471276 |
0.8654 | High Similarity | NPC471275 |
0.8654 | High Similarity | NPC125122 |
0.8654 | High Similarity | NPC471280 |
0.8545 | High Similarity | NPC473532 |
0.8491 | Intermediate Similarity | NPC249670 |
0.8491 | Intermediate Similarity | NPC473913 |
0.8491 | Intermediate Similarity | NPC474642 |
0.8448 | Intermediate Similarity | NPC473652 |
0.8421 | Intermediate Similarity | NPC265551 |
0.8421 | Intermediate Similarity | NPC212730 |
0.8393 | Intermediate Similarity | NPC473735 |
0.8393 | Intermediate Similarity | NPC475353 |
0.8393 | Intermediate Similarity | NPC473725 |
0.8393 | Intermediate Similarity | NPC473910 |
0.8393 | Intermediate Similarity | NPC471239 |
0.8393 | Intermediate Similarity | NPC473896 |
0.8393 | Intermediate Similarity | NPC473721 |
0.8302 | Intermediate Similarity | NPC31194 |
0.8302 | Intermediate Similarity | NPC85079 |
0.8302 | Intermediate Similarity | NPC248884 |
0.8269 | Intermediate Similarity | NPC124183 |
0.8269 | Intermediate Similarity | NPC35141 |
0.8246 | Intermediate Similarity | NPC473847 |
0.8246 | Intermediate Similarity | NPC470967 |
0.8246 | Intermediate Similarity | NPC470969 |
0.8246 | Intermediate Similarity | NPC477661 |
0.8246 | Intermediate Similarity | NPC475384 |
0.8246 | Intermediate Similarity | NPC470966 |
0.8246 | Intermediate Similarity | NPC161838 |
0.8246 | Intermediate Similarity | NPC471960 |
0.8246 | Intermediate Similarity | NPC470968 |
0.8167 | Intermediate Similarity | NPC168407 |
0.8167 | Intermediate Similarity | NPC271282 |
0.8167 | Intermediate Similarity | NPC66460 |
0.8167 | Intermediate Similarity | NPC325929 |
0.8148 | Intermediate Similarity | NPC72699 |
0.8103 | Intermediate Similarity | NPC471279 |
0.8103 | Intermediate Similarity | NPC44542 |
0.8103 | Intermediate Similarity | NPC470970 |
0.8103 | Intermediate Similarity | NPC471277 |
0.807 | Intermediate Similarity | NPC477725 |
0.807 | Intermediate Similarity | NPC477726 |
0.8033 | Intermediate Similarity | NPC29697 |
0.8 | Intermediate Similarity | NPC151782 |
0.7963 | Intermediate Similarity | NPC153538 |
0.7925 | Intermediate Similarity | NPC19834 |
0.7925 | Intermediate Similarity | NPC55063 |
0.7885 | Intermediate Similarity | NPC101616 |
0.7797 | Intermediate Similarity | NPC193975 |
0.7797 | Intermediate Similarity | NPC472445 |
0.7759 | Intermediate Similarity | NPC474644 |
0.7736 | Intermediate Similarity | NPC269074 |
0.7719 | Intermediate Similarity | NPC187361 |
0.7719 | Intermediate Similarity | NPC477724 |
0.7719 | Intermediate Similarity | NPC26102 |
0.7679 | Intermediate Similarity | NPC93639 |
0.7627 | Intermediate Similarity | NPC474643 |
0.7627 | Intermediate Similarity | NPC473865 |
0.7619 | Intermediate Similarity | NPC470320 |
0.7619 | Intermediate Similarity | NPC226592 |
0.7586 | Intermediate Similarity | NPC49059 |
0.7586 | Intermediate Similarity | NPC256209 |
0.7581 | Intermediate Similarity | NPC477829 |
0.7544 | Intermediate Similarity | NPC142092 |
0.7541 | Intermediate Similarity | NPC222852 |
0.7538 | Intermediate Similarity | NPC473752 |
0.75 | Intermediate Similarity | NPC149668 |
0.7419 | Intermediate Similarity | NPC327112 |
0.7414 | Intermediate Similarity | NPC61177 |
0.7368 | Intermediate Similarity | NPC59408 |
0.7368 | Intermediate Similarity | NPC129263 |
0.7368 | Intermediate Similarity | NPC71053 |
0.7288 | Intermediate Similarity | NPC110732 |
0.7288 | Intermediate Similarity | NPC269615 |
0.7273 | Intermediate Similarity | NPC157096 |
0.7273 | Intermediate Similarity | NPC180575 |
0.7258 | Intermediate Similarity | NPC474267 |
0.7258 | Intermediate Similarity | NPC329424 |
0.7231 | Intermediate Similarity | NPC136164 |
0.7231 | Intermediate Similarity | NPC255863 |
0.7231 | Intermediate Similarity | NPC245947 |
0.7193 | Intermediate Similarity | NPC328784 |
0.7193 | Intermediate Similarity | NPC291437 |
0.717 | Intermediate Similarity | NPC304151 |
0.7143 | Intermediate Similarity | NPC471958 |
0.7119 | Intermediate Similarity | NPC34577 |
0.7115 | Intermediate Similarity | NPC27444 |
0.7115 | Intermediate Similarity | NPC103236 |
0.7115 | Intermediate Similarity | NPC329762 |
0.7097 | Intermediate Similarity | NPC469373 |
0.7069 | Intermediate Similarity | NPC473672 |
0.7069 | Intermediate Similarity | NPC474495 |
0.7049 | Intermediate Similarity | NPC472808 |
0.7049 | Intermediate Similarity | NPC324224 |
0.7018 | Intermediate Similarity | NPC302310 |
0.7015 | Intermediate Similarity | NPC26500 |
0.7015 | Intermediate Similarity | NPC99619 |
0.6984 | Remote Similarity | NPC322002 |
0.6984 | Remote Similarity | NPC322186 |
0.6949 | Remote Similarity | NPC106531 |
0.6909 | Remote Similarity | NPC108195 |
0.6885 | Remote Similarity | NPC474913 |
0.6875 | Remote Similarity | NPC299730 |
0.6875 | Remote Similarity | NPC243532 |
0.6875 | Remote Similarity | NPC328311 |
0.6833 | Remote Similarity | NPC284224 |
0.6818 | Remote Similarity | NPC476658 |
0.6812 | Remote Similarity | NPC470436 |
0.6769 | Remote Similarity | NPC201939 |
0.6769 | Remote Similarity | NPC321838 |
0.6769 | Remote Similarity | NPC113293 |
0.6769 | Remote Similarity | NPC26810 |
0.6765 | Remote Similarity | NPC225272 |
0.6721 | Remote Similarity | NPC137538 |
0.6719 | Remote Similarity | NPC318306 |
0.6719 | Remote Similarity | NPC329249 |
0.6716 | Remote Similarity | NPC323045 |
0.6716 | Remote Similarity | NPC318420 |
0.6716 | Remote Similarity | NPC326268 |
0.6716 | Remote Similarity | NPC317881 |
0.6667 | Remote Similarity | NPC323436 |
0.6667 | Remote Similarity | NPC236872 |
0.6667 | Remote Similarity | NPC129150 |
0.6667 | Remote Similarity | NPC473705 |
0.6667 | Remote Similarity | NPC308331 |
0.6618 | Remote Similarity | NPC476659 |
0.6618 | Remote Similarity | NPC476656 |
0.6618 | Remote Similarity | NPC146811 |
0.6618 | Remote Similarity | NPC328653 |
0.6613 | Remote Similarity | NPC45626 |
0.6613 | Remote Similarity | NPC52264 |
0.6613 | Remote Similarity | NPC317899 |
0.6613 | Remote Similarity | NPC54766 |
0.661 | Remote Similarity | NPC473768 |
0.661 | Remote Similarity | NPC59051 |
0.6604 | Remote Similarity | NPC15934 |
0.6571 | Remote Similarity | NPC236208 |
0.6571 | Remote Similarity | NPC143396 |
0.6562 | Remote Similarity | NPC223679 |
0.6557 | Remote Similarity | NPC474496 |
0.6557 | Remote Similarity | NPC217188 |
0.6545 | Remote Similarity | NPC213538 |
0.6545 | Remote Similarity | NPC256766 |
0.6545 | Remote Similarity | NPC206906 |
0.6538 | Remote Similarity | NPC216416 |
0.6528 | Remote Similarity | NPC470435 |
0.6528 | Remote Similarity | NPC329890 |
0.6522 | Remote Similarity | NPC49863 |
0.6522 | Remote Similarity | NPC473829 |
0.6522 | Remote Similarity | NPC478097 |
0.6522 | Remote Similarity | NPC475443 |
0.6515 | Remote Similarity | NPC328776 |
0.6515 | Remote Similarity | NPC320305 |
0.6515 | Remote Similarity | NPC55376 |
0.6508 | Remote Similarity | NPC187777 |
0.6508 | Remote Similarity | NPC179764 |
0.6491 | Remote Similarity | NPC474202 |
0.6491 | Remote Similarity | NPC474362 |
0.6491 | Remote Similarity | NPC276825 |
0.6479 | Remote Similarity | NPC476037 |
0.6479 | Remote Similarity | NPC4299 |
0.6471 | Remote Similarity | NPC323477 |
0.6471 | Remote Similarity | NPC476654 |
0.6471 | Remote Similarity | NPC476657 |
0.6471 | Remote Similarity | NPC476655 |
0.6441 | Remote Similarity | NPC475153 |
0.6441 | Remote Similarity | NPC473551 |
0.6441 | Remote Similarity | NPC267110 |
0.6441 | Remote Similarity | NPC207815 |
0.6438 | Remote Similarity | NPC227396 |
0.6429 | Remote Similarity | NPC48218 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC470964 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 |
---|---|---|---|
0.7419 | Intermediate Similarity | NPD4246 | Clinical (unspecified phase) |
0.6567 | Remote Similarity | NPD3197 | Phase 1 |
0.6522 | Remote Similarity | NPD4247 | Clinical (unspecified phase) |
0.6491 | Remote Similarity | NPD39 | Approved |
0.6441 | Remote Similarity | NPD4220 | Pre-registration |
0.6329 | Remote Similarity | NPD5332 | Approved |
0.6329 | Remote Similarity | NPD5331 | Approved |
0.6207 | Remote Similarity | NPD4265 | Approved |
0.619 | Remote Similarity | NPD3196 | Approved |
0.619 | Remote Similarity | NPD3194 | Approved |
0.619 | Remote Similarity | NPD3195 | Phase 2 |
0.619 | Remote Similarity | NPD4266 | Approved |
0.6176 | Remote Similarity | NPD3210 | Clinical (unspecified phase) |
0.614 | Remote Similarity | NPD5326 | Phase 3 |
0.6104 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.6104 | Remote Similarity | NPD4271 | Approved |
0.6104 | Remote Similarity | NPD4268 | Approved |
0.6061 | Remote Similarity | NPD6109 | Phase 1 |
0.6034 | Remote Similarity | NPD6097 | Approved |
0.6034 | Remote Similarity | NPD6096 | Approved |
0.6032 | Remote Similarity | NPD3172 | Approved |
0.6029 | Remote Similarity | NPD4194 | Approved |
0.6029 | Remote Similarity | NPD4193 | Approved |
0.6029 | Remote Similarity | NPD4191 | Approved |
0.6029 | Remote Similarity | NPD4192 | Approved |
0.6 | Remote Similarity | NPD5343 | Approved |
0.5968 | Remote Similarity | NPD28 | Approved |
0.5968 | Remote Similarity | NPD29 | Approved |
0.5968 | Remote Similarity | NPD6927 | Phase 3 |
0.5949 | Remote Similarity | NPD4252 | Approved |
0.5949 | Remote Similarity | NPD4821 | Approved |
0.5949 | Remote Similarity | NPD4820 | Approved |
0.5949 | Remote Similarity | NPD4822 | Approved |
0.5949 | Remote Similarity | NPD4819 | Approved |
0.5949 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.5932 | Remote Similarity | NPD4222 | Approved |
0.5902 | Remote Similarity | NPD3173 | Approved |
0.5875 | Remote Similarity | NPD4790 | Discontinued |
0.5857 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.5846 | Remote Similarity | NPD4627 | Clinical (unspecified phase) |
0.5802 | Remote Similarity | NPD4270 | Approved |
0.5802 | Remote Similarity | NPD4269 | Approved |
0.5783 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5775 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.5758 | Remote Similarity | NPD4219 | Approved |
0.5732 | Remote Similarity | NPD7154 | Phase 3 |
0.5732 | Remote Similarity | NPD5362 | Discontinued |
0.5667 | Remote Similarity | NPD3174 | Discontinued |
0.56 | Remote Similarity | NPD3212 | Clinical (unspecified phase) |
PubChem CID   | 71658904 |
ChEMBL   | CHEMBL2333786 |
ZINC   |
Molecular Weight:   | 492.36 |
ALogP:   | -0.8922 |
MLogP:   | 4.76 |
XLogP:   | 12.666 |
# Rotatable Bonds:   | 23 |
Polar Surface Area:   | 57.53 |
# H-Bond Aceptor:   | 3 |
# H-Bond Donor:   | 2 |
# Rings:   | 0 |
# Heavy Atoms:   | 36 |