Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT139 | Cell Line | HT-29 | Homo sapiens | ED50 | = | 12.5 | ug/ml | 25729554 |
NPT168 | Cell Line | P388 | Mus musculus | ED50 | = | 3.96 | ug/ml | 25729554 |
NPT81 | Cell Line | A549 | Homo sapiens | ED50 | = | 13.4 | ug/ml | DrugMatrix in vitro pharmacology data |
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 NPC190008 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 |
---|---|---|
0.9211 | High Similarity | NPC4436 |
0.7816 | Intermediate Similarity | NPC313658 |
0.7816 | Intermediate Similarity | NPC316138 |
0.764 | Intermediate Similarity | NPC309310 |
0.7586 | Intermediate Similarity | NPC471494 |
0.75 | Intermediate Similarity | NPC234038 |
0.75 | Intermediate Similarity | NPC471480 |
0.7471 | Intermediate Similarity | NPC196487 |
0.7471 | Intermediate Similarity | NPC14575 |
0.7447 | Intermediate Similarity | NPC98112 |
0.7391 | Intermediate Similarity | NPC476049 |
0.7386 | Intermediate Similarity | NPC474369 |
0.7349 | Intermediate Similarity | NPC229655 |
0.7333 | Intermediate Similarity | NPC248312 |
0.7333 | Intermediate Similarity | NPC233997 |
0.7303 | Intermediate Similarity | NPC116575 |
0.7303 | Intermediate Similarity | NPC311163 |
0.7294 | Intermediate Similarity | NPC471537 |
0.7294 | Intermediate Similarity | NPC204270 |
0.7262 | Intermediate Similarity | NPC84360 |
0.7262 | Intermediate Similarity | NPC107668 |
0.7209 | Intermediate Similarity | NPC100697 |
0.7204 | Intermediate Similarity | NPC91654 |
0.7204 | Intermediate Similarity | NPC472196 |
0.7204 | Intermediate Similarity | NPC474792 |
0.7204 | Intermediate Similarity | NPC472195 |
0.7204 | Intermediate Similarity | NPC238090 |
0.7204 | Intermediate Similarity | NPC67398 |
0.7195 | Intermediate Similarity | NPC477085 |
0.7188 | Intermediate Similarity | NPC203627 |
0.7174 | Intermediate Similarity | NPC470817 |
0.7174 | Intermediate Similarity | NPC202886 |
0.7174 | Intermediate Similarity | NPC477865 |
0.7174 | Intermediate Similarity | NPC477866 |
0.716 | Intermediate Similarity | NPC4299 |
0.7143 | Intermediate Similarity | NPC473151 |
0.7143 | Intermediate Similarity | NPC256720 |
0.7143 | Intermediate Similarity | NPC236228 |
0.7128 | Intermediate Similarity | NPC88507 |
0.7128 | Intermediate Similarity | NPC159698 |
0.7125 | Intermediate Similarity | NPC470040 |
0.7125 | Intermediate Similarity | NPC305698 |
0.7111 | Intermediate Similarity | NPC198314 |
0.7097 | Intermediate Similarity | NPC302584 |
0.7093 | Intermediate Similarity | NPC321728 |
0.7079 | Intermediate Similarity | NPC471301 |
0.7079 | Intermediate Similarity | NPC471302 |
0.7079 | Intermediate Similarity | NPC474776 |
0.7073 | Intermediate Similarity | NPC477087 |
0.7073 | Intermediate Similarity | NPC477086 |
0.7073 | Intermediate Similarity | NPC477084 |
0.7065 | Intermediate Similarity | NPC212598 |
0.7065 | Intermediate Similarity | NPC470819 |
0.7065 | Intermediate Similarity | NPC115179 |
0.7065 | Intermediate Similarity | NPC106040 |
0.7065 | Intermediate Similarity | NPC477748 |
0.7053 | Intermediate Similarity | NPC272050 |
0.7045 | Intermediate Similarity | NPC324170 |
0.7037 | Intermediate Similarity | NPC74722 |
0.7037 | Intermediate Similarity | NPC101622 |
0.7037 | Intermediate Similarity | NPC304690 |
0.7033 | Intermediate Similarity | NPC471056 |
0.7033 | Intermediate Similarity | NPC199382 |
0.7033 | Intermediate Similarity | NPC471055 |
0.7011 | Intermediate Similarity | NPC475946 |
0.7 | Intermediate Similarity | NPC259299 |
0.7 | Intermediate Similarity | NPC470658 |
0.7 | Intermediate Similarity | NPC119001 |
0.6989 | Remote Similarity | NPC469403 |
0.6979 | Remote Similarity | NPC311166 |
0.6977 | Remote Similarity | NPC477089 |
0.6977 | Remote Similarity | NPC470944 |
0.697 | Remote Similarity | NPC470571 |
0.6962 | Remote Similarity | NPC308844 |
0.6947 | Remote Similarity | NPC470255 |
0.6941 | Remote Similarity | NPC12740 |
0.6941 | Remote Similarity | NPC152017 |
0.6941 | Remote Similarity | NPC110461 |
0.6932 | Remote Similarity | NPC184208 |
0.6932 | Remote Similarity | NPC246621 |
0.6932 | Remote Similarity | NPC8538 |
0.6932 | Remote Similarity | NPC315731 |
0.6923 | Remote Similarity | NPC61527 |
0.6923 | Remote Similarity | NPC472379 |
0.6923 | Remote Similarity | NPC208473 |
0.6915 | Remote Similarity | NPC472199 |
0.6915 | Remote Similarity | NPC477749 |
0.6915 | Remote Similarity | NPC472197 |
0.6907 | Remote Similarity | NPC155319 |
0.6907 | Remote Similarity | NPC91197 |
0.6907 | Remote Similarity | NPC309503 |
0.6907 | Remote Similarity | NPC125551 |
0.6907 | Remote Similarity | NPC239547 |
0.6907 | Remote Similarity | NPC96597 |
0.69 | Remote Similarity | NPC134270 |
0.6897 | Remote Similarity | NPC139712 |
0.6897 | Remote Similarity | NPC86971 |
0.6889 | Remote Similarity | NPC266718 |
0.6883 | Remote Similarity | NPC127824 |
0.6882 | Remote Similarity | NPC104129 |
0.6882 | Remote Similarity | NPC249408 |
0.6875 | Remote Similarity | NPC472189 |
0.6875 | Remote Similarity | NPC471372 |
0.6875 | Remote Similarity | NPC471362 |
0.6875 | Remote Similarity | NPC13924 |
0.6869 | Remote Similarity | NPC20673 |
0.6869 | Remote Similarity | NPC57586 |
0.6869 | Remote Similarity | NPC475655 |
0.6869 | Remote Similarity | NPC2313 |
0.6869 | Remote Similarity | NPC471637 |
0.6869 | Remote Similarity | NPC154127 |
0.6869 | Remote Similarity | NPC154132 |
0.6869 | Remote Similarity | NPC475157 |
0.6867 | Remote Similarity | NPC472254 |
0.686 | Remote Similarity | NPC476439 |
0.6854 | Remote Similarity | NPC471298 |
0.6854 | Remote Similarity | NPC477385 |
0.6854 | Remote Similarity | NPC477390 |
0.6854 | Remote Similarity | NPC20072 |
0.6848 | Remote Similarity | NPC74139 |
0.6842 | Remote Similarity | NPC320089 |
0.6842 | Remote Similarity | NPC109406 |
0.6842 | Remote Similarity | NPC280390 |
0.6837 | Remote Similarity | NPC151093 |
0.6837 | Remote Similarity | NPC312325 |
0.6832 | Remote Similarity | NPC470321 |
0.6832 | Remote Similarity | NPC473207 |
0.6832 | Remote Similarity | NPC81567 |
0.6832 | Remote Similarity | NPC264867 |
0.6832 | Remote Similarity | NPC201880 |
0.6829 | Remote Similarity | NPC239373 |
0.6829 | Remote Similarity | NPC269841 |
0.6829 | Remote Similarity | NPC329989 |
0.6824 | Remote Similarity | NPC265921 |
0.6824 | Remote Similarity | NPC215215 |
0.6824 | Remote Similarity | NPC85831 |
0.6818 | Remote Similarity | NPC186072 |
0.6813 | Remote Similarity | NPC472442 |
0.6809 | Remote Similarity | NPC327253 |
0.6804 | Remote Similarity | NPC90583 |
0.6804 | Remote Similarity | NPC173329 |
0.6804 | Remote Similarity | NPC171598 |
0.6804 | Remote Similarity | NPC288350 |
0.68 | Remote Similarity | NPC238397 |
0.68 | Remote Similarity | NPC471363 |
0.6796 | Remote Similarity | NPC470024 |
0.679 | Remote Similarity | NPC73603 |
0.6786 | Remote Similarity | NPC135703 |
0.6782 | Remote Similarity | NPC474005 |
0.6782 | Remote Similarity | NPC474341 |
0.6782 | Remote Similarity | NPC475980 |
0.6778 | Remote Similarity | NPC471297 |
0.6778 | Remote Similarity | NPC2379 |
0.6778 | Remote Similarity | NPC31019 |
0.6778 | Remote Similarity | NPC106912 |
0.6778 | Remote Similarity | NPC263087 |
0.6778 | Remote Similarity | NPC27314 |
0.6778 | Remote Similarity | NPC49208 |
0.6778 | Remote Similarity | NPC475714 |
0.6778 | Remote Similarity | NPC23748 |
0.6774 | Remote Similarity | NPC60765 |
0.6771 | Remote Similarity | NPC472198 |
0.6771 | Remote Similarity | NPC469491 |
0.6768 | Remote Similarity | NPC477716 |
0.6768 | Remote Similarity | NPC475053 |
0.6768 | Remote Similarity | NPC477721 |
0.6768 | Remote Similarity | NPC473204 |
0.6768 | Remote Similarity | NPC244878 |
0.6765 | Remote Similarity | NPC315070 |
0.6765 | Remote Similarity | NPC252296 |
0.6765 | Remote Similarity | NPC172867 |
0.6753 | Remote Similarity | NPC122239 |
0.6747 | Remote Similarity | NPC473361 |
0.6747 | Remote Similarity | NPC329904 |
0.6744 | Remote Similarity | NPC301525 |
0.6744 | Remote Similarity | NPC61863 |
0.6742 | Remote Similarity | NPC112868 |
0.6742 | Remote Similarity | NPC474894 |
0.6742 | Remote Similarity | NPC15978 |
0.6739 | Remote Similarity | NPC323209 |
0.6739 | Remote Similarity | NPC470836 |
0.6739 | Remote Similarity | NPC173917 |
0.6737 | Remote Similarity | NPC476075 |
0.6737 | Remote Similarity | NPC206679 |
0.6737 | Remote Similarity | NPC471324 |
0.6737 | Remote Similarity | NPC114172 |
0.6737 | Remote Similarity | NPC476084 |
0.6735 | Remote Similarity | NPC472188 |
0.6735 | Remote Similarity | NPC240372 |
0.6733 | Remote Similarity | NPC7644 |
0.6733 | Remote Similarity | NPC7613 |
0.6733 | Remote Similarity | NPC475889 |
0.6733 | Remote Similarity | NPC197736 |
0.6733 | Remote Similarity | NPC127933 |
0.6733 | Remote Similarity | NPC471450 |
0.6707 | Remote Similarity | NPC272961 |
0.6706 | Remote Similarity | NPC472173 |
0.6706 | Remote Similarity | NPC472174 |
0.6705 | Remote Similarity | NPC17550 |
0.6705 | Remote Similarity | NPC233295 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC190008 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 |
---|---|---|---|
0.7188 | Intermediate Similarity | NPD8029 | Clinical (unspecified phase) |
0.66 | Remote Similarity | NPD6648 | Approved |
0.6593 | Remote Similarity | NPD6695 | Phase 3 |
0.6522 | Remote Similarity | NPD7338 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD6400 | Clinical (unspecified phase) |
0.6465 | Remote Similarity | NPD7839 | Suspended |
0.6458 | Remote Similarity | NPD7838 | Discovery |
0.6444 | Remote Similarity | NPD7514 | Phase 3 |
0.6444 | Remote Similarity | NPD7332 | Phase 2 |
0.6437 | Remote Similarity | NPD8264 | Approved |
0.6404 | Remote Similarity | NPD7322 | Clinical (unspecified phase) |
0.6372 | Remote Similarity | NPD8513 | Phase 3 |
0.6372 | Remote Similarity | NPD8517 | Approved |
0.6372 | Remote Similarity | NPD8516 | Approved |
0.6372 | Remote Similarity | NPD8515 | Approved |
0.6327 | Remote Similarity | NPD5778 | Approved |
0.6327 | Remote Similarity | NPD5779 | Approved |
0.6316 | Remote Similarity | NPD7750 | Discontinued |
0.6316 | Remote Similarity | NPD7524 | Approved |
0.6289 | Remote Similarity | NPD6698 | Approved |
0.6289 | Remote Similarity | NPD46 | Approved |
0.6264 | Remote Similarity | NPD6930 | Phase 2 |
0.6264 | Remote Similarity | NPD6931 | Approved |
0.625 | Remote Similarity | NPD8039 | Approved |
0.6224 | Remote Similarity | NPD7637 | Suspended |
0.6224 | Remote Similarity | NPD7983 | Approved |
0.6222 | Remote Similarity | NPD7145 | Approved |
0.622 | Remote Similarity | NPD5325 | Clinical (unspecified phase) |
0.6214 | Remote Similarity | NPD5344 | Discontinued |
0.6196 | Remote Similarity | NPD6902 | Approved |
0.6173 | Remote Similarity | NPD368 | Approved |
0.6168 | Remote Similarity | NPD6686 | Approved |
0.6154 | Remote Similarity | NPD6929 | Approved |
0.6147 | Remote Similarity | NPD8413 | Clinical (unspecified phase) |
0.6145 | Remote Similarity | NPD2685 | Clinical (unspecified phase) |
0.6136 | Remote Similarity | NPD6924 | Approved |
0.6136 | Remote Similarity | NPD6926 | Approved |
0.6111 | Remote Similarity | NPD6932 | Approved |
0.6111 | Remote Similarity | NPD5776 | Phase 2 |
0.6111 | Remote Similarity | NPD6925 | Approved |
0.6087 | Remote Similarity | NPD4820 | Approved |
0.6087 | Remote Similarity | NPD7503 | Approved |
0.6087 | Remote Similarity | NPD5790 | Clinical (unspecified phase) |
0.6087 | Remote Similarity | NPD4822 | Approved |
0.6087 | Remote Similarity | NPD4821 | Approved |
0.6087 | Remote Similarity | NPD4819 | Approved |
0.6064 | Remote Similarity | NPD7154 | Phase 3 |
0.6064 | Remote Similarity | NPD5362 | Discontinued |
0.6061 | Remote Similarity | NPD7087 | Discontinued |
0.6023 | Remote Similarity | NPD4732 | Discontinued |
0.6022 | Remote Similarity | NPD6898 | Phase 1 |
0.602 | Remote Similarity | NPD6101 | Approved |
0.602 | Remote Similarity | NPD5764 | Clinical (unspecified phase) |
0.6 | Remote Similarity | NPD6933 | Approved |
0.5979 | Remote Similarity | NPD4251 | Approved |
0.5979 | Remote Similarity | NPD4250 | Approved |
0.5977 | Remote Similarity | NPD7143 | Approved |
0.5977 | Remote Similarity | NPD7144 | Approved |
0.596 | Remote Similarity | NPD3168 | Discontinued |
0.5949 | Remote Similarity | NPD4219 | Approved |
0.5938 | Remote Similarity | NPD6082 | Clinical (unspecified phase) |
0.5938 | Remote Similarity | NPD6893 | Approved |
0.5909 | Remote Similarity | NPD7151 | Approved |
0.5909 | Remote Similarity | NPD7152 | Approved |
0.5909 | Remote Similarity | NPD7150 | Approved |
0.59 | Remote Similarity | NPD6411 | Approved |
0.5895 | Remote Similarity | NPD5331 | Approved |
0.5895 | Remote Similarity | NPD5332 | Approved |
0.5876 | Remote Similarity | NPD4249 | Approved |
0.587 | Remote Similarity | NPD4271 | Approved |
0.587 | Remote Similarity | NPD4268 | Approved |
0.5862 | Remote Similarity | NPD6923 | Approved |
0.5862 | Remote Similarity | NPD6922 | Approved |
0.5854 | Remote Similarity | NPD1145 | Discontinued |
0.5851 | Remote Similarity | NPD4790 | Discontinued |
0.5833 | Remote Similarity | NPD8074 | Phase 3 |
0.5826 | Remote Similarity | NPD7328 | Approved |
0.5826 | Remote Similarity | NPD7327 | Approved |
0.5823 | Remote Similarity | NPD342 | Phase 1 |
0.5812 | Remote Similarity | NPD8033 | Approved |
0.5812 | Remote Similarity | NPD8444 | Approved |
0.581 | Remote Similarity | NPD7640 | Approved |
0.581 | Remote Similarity | NPD7639 | Approved |
0.5806 | Remote Similarity | NPD6683 | Phase 2 |
0.58 | Remote Similarity | NPD8522 | Clinical (unspecified phase) |
0.58 | Remote Similarity | NPD5785 | Approved |
0.5789 | Remote Similarity | NPD5209 | Approved |
0.5789 | Remote Similarity | NPD4269 | Approved |
0.5789 | Remote Similarity | NPD4270 | Approved |
0.5776 | Remote Similarity | NPD7516 | Approved |
0.575 | Remote Similarity | NPD8451 | Approved |
0.5745 | Remote Similarity | NPD7509 | Discontinued |
0.5726 | Remote Similarity | NPD8377 | Approved |
0.5726 | Remote Similarity | NPD8294 | Approved |
0.5714 | Remote Similarity | NPD7638 | Approved |
0.5714 | Remote Similarity | NPD7829 | Approved |
0.5714 | Remote Similarity | NPD7830 | Approved |
0.5714 | Remote Similarity | NPD5786 | Approved |
0.5702 | Remote Similarity | NPD8448 | Approved |
0.57 | Remote Similarity | NPD6051 | Approved |
0.5699 | Remote Similarity | NPD5784 | Clinical (unspecified phase) |
0.5688 | Remote Similarity | NPD6640 | Phase 3 |
0.5684 | Remote Similarity | NPD5369 | Approved |
0.5678 | Remote Similarity | NPD8378 | Approved |
0.5678 | Remote Similarity | NPD8380 | Approved |
0.5678 | Remote Similarity | NPD8296 | Approved |
0.5678 | Remote Similarity | NPD8379 | Approved |
0.5678 | Remote Similarity | NPD8335 | Approved |
0.5673 | Remote Similarity | NPD4792 | Clinical (unspecified phase) |
0.5667 | Remote Similarity | NPD8342 | Approved |
0.5667 | Remote Similarity | NPD8340 | Approved |
0.5667 | Remote Similarity | NPD8299 | Approved |
0.5667 | Remote Similarity | NPD8341 | Approved |
0.5644 | Remote Similarity | NPD7136 | Phase 2 |
0.5636 | Remote Similarity | NPD6412 | Phase 2 |
0.5631 | Remote Similarity | NPD5282 | Discontinued |
0.5625 | Remote Similarity | NPD4752 | Clinical (unspecified phase) |
0.5612 | Remote Similarity | NPD5363 | Approved |
0.5603 | Remote Similarity | NPD7500 | Approved |
PubChem CID   | 5323571 |
ChEMBL   | CHEMBL516882 |
ZINC   |
Molecular Weight:   | 362.25 |
ALogP:   | 2.6022 |
MLogP:   | 3.44 |
XLogP:   | 3.121 |
# Rotatable Bonds:   | 10 |
Polar Surface Area:   | 47.92 |
# H-Bond Aceptor:   | 4 |
# H-Bond Donor:   | 1 |
# Rings:   | 2 |
# Heavy Atoms:   | 26 |