Target ID | Target Type | Target Name | Target Organism | Activity Type | Activity Relation | Value | Unit | Reference |
---|---|---|---|---|---|---|---|---|
NPT2868 | Individual Protein | Thymidine kinase 2 | Rattus norvegicus | Inhibition | = | 83 | % | 7097717 |
NPT2869 | Individual Protein | Thymidine kinase | Rattus norvegicus | Inhibition | = | 53 | % | 7097717 |
NPT2868 | Individual Protein | Thymidine kinase 2 | Rattus norvegicus | Ki | = | 77000 | nM | 7097717 |
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 NPC325902 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 |
---|---|---|
0.9103 | High Similarity | NPC325723 |
0.9054 | High Similarity | NPC329077 |
0.8272 | Intermediate Similarity | NPC71339 |
0.8272 | Intermediate Similarity | NPC112842 |
0.825 | Intermediate Similarity | NPC319753 |
0.8 | Intermediate Similarity | NPC171116 |
0.7976 | Intermediate Similarity | NPC163352 |
0.7976 | Intermediate Similarity | NPC210456 |
0.7927 | Intermediate Similarity | NPC106780 |
0.7647 | Intermediate Similarity | NPC43246 |
0.7647 | Intermediate Similarity | NPC89051 |
0.764 | Intermediate Similarity | NPC318166 |
0.764 | Intermediate Similarity | NPC324516 |
0.7614 | Intermediate Similarity | NPC327344 |
0.7468 | Intermediate Similarity | NPC315806 |
0.7386 | Intermediate Similarity | NPC315063 |
0.7303 | Intermediate Similarity | NPC324390 |
0.7222 | Intermediate Similarity | NPC322594 |
0.7222 | Intermediate Similarity | NPC320249 |
0.7065 | Intermediate Similarity | NPC17892 |
0.7065 | Intermediate Similarity | NPC36985 |
0.7 | Intermediate Similarity | NPC109188 |
0.6989 | Remote Similarity | NPC73765 |
0.6989 | Remote Similarity | NPC283698 |
0.6809 | Remote Similarity | NPC317639 |
0.6731 | Remote Similarity | NPC478024 |
0.6703 | Remote Similarity | NPC328806 |
0.6667 | Remote Similarity | NPC470783 |
0.6629 | Remote Similarity | NPC229249 |
0.6628 | Remote Similarity | NPC312315 |
0.6627 | Remote Similarity | NPC126186 |
0.6471 | Remote Similarity | NPC470782 |
0.6471 | Remote Similarity | NPC329277 |
0.6413 | Remote Similarity | NPC62927 |
0.6413 | Remote Similarity | NPC190334 |
0.64 | Remote Similarity | NPC293551 |
0.6346 | Remote Similarity | NPC149843 |
0.6346 | Remote Similarity | NPC155087 |
0.625 | Remote Similarity | NPC224624 |
0.619 | Remote Similarity | NPC196007 |
0.619 | Remote Similarity | NPC214532 |
0.619 | Remote Similarity | NPC470781 |
0.619 | Remote Similarity | NPC76297 |
0.6186 | Remote Similarity | NPC329384 |
0.6162 | Remote Similarity | NPC313821 |
0.6047 | Remote Similarity | NPC256312 |
0.6047 | Remote Similarity | NPC209156 |
0.6047 | Remote Similarity | NPC161774 |
0.6047 | Remote Similarity | NPC266888 |
0.604 | Remote Similarity | NPC328914 |
0.6 | Remote Similarity | NPC328779 |
0.5976 | Remote Similarity | NPC84182 |
0.5976 | Remote Similarity | NPC128005 |
0.596 | Remote Similarity | NPC6166 |
0.596 | Remote Similarity | NPC226769 |
0.596 | Remote Similarity | NPC280946 |
0.5934 | Remote Similarity | NPC476302 |
0.59 | Remote Similarity | NPC90240 |
0.59 | Remote Similarity | NPC120887 |
0.5889 | Remote Similarity | NPC31756 |
0.5876 | Remote Similarity | NPC474593 |
0.5876 | Remote Similarity | NPC475801 |
0.5833 | Remote Similarity | NPC316445 |
0.5824 | Remote Similarity | NPC476117 |
0.5824 | Remote Similarity | NPC476243 |
0.5824 | Remote Similarity | NPC476156 |
0.5824 | Remote Similarity | NPC476137 |
0.5816 | Remote Similarity | NPC474576 |
0.5802 | Remote Similarity | NPC243964 |
0.5763 | Remote Similarity | NPC315058 |
0.5761 | Remote Similarity | NPC475542 |
0.5758 | Remote Similarity | NPC471098 |
0.5758 | Remote Similarity | NPC62263 |
0.5758 | Remote Similarity | NPC173763 |
0.5755 | Remote Similarity | NPC62845 |
0.5755 | Remote Similarity | NPC166242 |
0.5755 | Remote Similarity | NPC189854 |
0.5755 | Remote Similarity | NPC92874 |
0.5755 | Remote Similarity | NPC322449 |
0.5728 | Remote Similarity | NPC475440 |
0.5726 | Remote Similarity | NPC325750 |
0.5714 | Remote Similarity | NPC275727 |
0.5714 | Remote Similarity | NPC314387 |
0.5701 | Remote Similarity | NPC325900 |
0.5701 | Remote Similarity | NPC10897 |
0.5698 | Remote Similarity | NPC223174 |
0.5698 | Remote Similarity | NPC327753 |
0.5698 | Remote Similarity | NPC327486 |
0.5663 | Remote Similarity | NPC41429 |
0.566 | Remote Similarity | NPC239705 |
0.566 | Remote Similarity | NPC314398 |
0.566 | Remote Similarity | NPC314413 |
0.5658 | Remote Similarity | NPC137327 |
0.5647 | Remote Similarity | NPC34291 |
0.5647 | Remote Similarity | NPC126664 |
0.5625 | Remote Similarity | NPC471202 |
0.5625 | Remote Similarity | NPC63191 |
0.562 | Remote Similarity | NPC313962 |
0.5612 | Remote Similarity | NPC275715 |
Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.
●  The left chart: Distribution of similarity level between NPC325902 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 |
---|---|---|---|
0.8272 | Intermediate Similarity | NPD280 | Approved |
0.8214 | Intermediate Similarity | NPD841 | Approved |
0.8072 | Intermediate Similarity | NPD240 | Phase 3 |
0.7901 | Intermediate Similarity | NPD9556 | Approved |
0.7857 | Intermediate Similarity | NPD170 | Approved |
0.7831 | Intermediate Similarity | NPD239 | Phase 2 |
0.7831 | Intermediate Similarity | NPD238 | Clinical (unspecified phase) |
0.7805 | Intermediate Similarity | NPD2691 | Clinical (unspecified phase) |
0.7805 | Intermediate Similarity | NPD9561 | Approved |
0.7805 | Intermediate Similarity | NPD9560 | Approved |
0.7791 | Intermediate Similarity | NPD755 | Phase 3 |
0.7738 | Intermediate Similarity | NPD9557 | Clinical (unspecified phase) |
0.7711 | Intermediate Similarity | NPD9546 | Phase 2 |
0.7711 | Intermediate Similarity | NPD9559 | Phase 1 |
0.7647 | Intermediate Similarity | NPD9581 | Clinical (unspecified phase) |
0.7647 | Intermediate Similarity | NPD9580 | Clinical (unspecified phase) |
0.7619 | Intermediate Similarity | NPD9533 | Phase 2 |
0.7473 | Intermediate Similarity | NPD762 | Discontinued |
0.747 | Intermediate Similarity | NPD9558 | Phase 3 |
0.7468 | Intermediate Similarity | NPD9653 | Clinical (unspecified phase) |
0.7442 | Intermediate Similarity | NPD9562 | Discovery |
0.7416 | Intermediate Similarity | NPD251 | Approved |
0.7294 | Intermediate Similarity | NPD9529 | Phase 1 |
0.7253 | Intermediate Similarity | NPD501 | Phase 1 |
0.7159 | Intermediate Similarity | NPD1760 | Approved |
0.7125 | Intermediate Similarity | NPD9405 | Approved |
0.7111 | Intermediate Similarity | NPD9565 | Discontinued |
0.7021 | Intermediate Similarity | NPD502 | Approved |
0.7 | Intermediate Similarity | NPD1331 | Approved |
0.6989 | Remote Similarity | NPD9639 | Clinical (unspecified phase) |
0.6966 | Remote Similarity | NPD241 | Discontinued |
0.6957 | Remote Similarity | NPD1686 | Approved |
0.6947 | Remote Similarity | NPD5789 | Clinical (unspecified phase) |
0.6941 | Remote Similarity | NPD9429 | Discontinued |
0.6867 | Remote Similarity | NPD9407 | Approved |
0.68 | Remote Similarity | NPD1385 | Discontinued |
0.6667 | Remote Similarity | NPD1061 | Clinical (unspecified phase) |
0.6629 | Remote Similarity | NPD9601 | Approved |
0.6591 | Remote Similarity | NPD9573 | Phase 2 |
0.6559 | Remote Similarity | NPD267 | Discontinued |
0.6535 | Remote Similarity | NPD3128 | Phase 3 |
0.6531 | Remote Similarity | NPD223 | Clinical (unspecified phase) |
0.6522 | Remote Similarity | NPD301 | Discontinued |
0.6489 | Remote Similarity | NPD6943 | Clinical (unspecified phase) |
0.6471 | Remote Similarity | NPD3129 | Phase 3 |
0.6436 | Remote Similarity | NPD2633 | Phase 1 |
0.6413 | Remote Similarity | NPD9604 | Approved |
0.6413 | Remote Similarity | NPD9602 | Phase 3 |
0.6413 | Remote Similarity | NPD9603 | Phase 3 |
0.6374 | Remote Similarity | NPD9555 | Phase 2 |
0.6354 | Remote Similarity | NPD215 | Discontinued |
0.6344 | Remote Similarity | NPD9553 | Approved |
0.6344 | Remote Similarity | NPD9554 | Approved |
0.6292 | Remote Similarity | NPD9600 | Approved |
0.6238 | Remote Similarity | NPD7651 | Approved |
0.6211 | Remote Similarity | NPD500 | Discontinued |
0.619 | Remote Similarity | NPD6693 | Phase 3 |
0.6162 | Remote Similarity | NPD3191 | Approved |
0.6162 | Remote Similarity | NPD3189 | Approved |
0.6162 | Remote Similarity | NPD3190 | Approved |
0.6154 | Remote Similarity | NPD9572 | Clinical (unspecified phase) |
0.6154 | Remote Similarity | NPD1428 | Phase 2 |
0.6146 | Remote Similarity | NPD9585 | Discontinued |
0.6146 | Remote Similarity | NPD285 | Discontinued |
0.6125 | Remote Similarity | NPD9211 | Clinical (unspecified phase) |
0.6111 | Remote Similarity | NPD7914 | Suspended |
0.61 | Remote Similarity | NPD3121 | Phase 2 |
0.6082 | Remote Similarity | NPD279 | Clinical (unspecified phase) |
0.6061 | Remote Similarity | NPD514 | Clinical (unspecified phase) |
0.604 | Remote Similarity | NPD1454 | Phase 3 |
0.604 | Remote Similarity | NPD1455 | Phase 3 |
0.6 | Remote Similarity | NPD3138 | Phase 3 |
0.5946 | Remote Similarity | NPD3139 | Phase 3 |
0.5941 | Remote Similarity | NPD192 | Phase 2 |
0.5926 | Remote Similarity | NPD9504 | Approved |
0.5926 | Remote Similarity | NPD1804 | Phase 2 |
0.5926 | Remote Similarity | NPD1805 | Phase 2 |
0.5926 | Remote Similarity | NPD9503 | Approved |
0.581 | Remote Similarity | NPD4743 | Phase 2 |
0.5806 | Remote Similarity | NPD883 | Phase 2 |
0.5806 | Remote Similarity | NPD882 | Phase 2 |
0.5755 | Remote Similarity | NPD6946 | Approved |
0.5752 | Remote Similarity | NPD7992 | Clinical (unspecified phase) |
0.5745 | Remote Similarity | NPD205 | Approved |
0.5743 | Remote Similarity | NPD7841 | Clinical (unspecified phase) |
0.5728 | Remote Similarity | NPD765 | Discontinued |
0.5714 | Remote Similarity | NPD3184 | Approved |
0.5714 | Remote Similarity | NPD3183 | Approved |
0.5714 | Remote Similarity | NPD3182 | Approved |
0.5714 | Remote Similarity | NPD3185 | Approved |
0.57 | Remote Similarity | NPD1706 | Clinical (unspecified phase) |
0.5699 | Remote Similarity | NPD2683 | Discontinued |
0.5698 | Remote Similarity | NPD9445 | Approved |
0.5684 | Remote Similarity | NPD9401 | Discovery |
0.5679 | Remote Similarity | NPD393 | Approved |
0.567 | Remote Similarity | NPD3177 | Phase 3 |
0.566 | Remote Similarity | NPD6122 | Discontinued |
0.5647 | Remote Similarity | NPD9443 | Clinical (unspecified phase) |
PubChem CID   | 165328 |
ChEMBL   | CHEMBL3143492 |
ZINC   |
Molecular Weight:   | 244.11 |
ALogP:   | -1.8575 |
MLogP:   | 1.79 |
XLogP:   | -1.173 |
# Rotatable Bonds:   | 6 |
Polar Surface Area:   | 102.59 |
# H-Bond Aceptor:   | 7 |
# H-Bond Donor:   | 3 |
# Rings:   | 2 |
# Heavy Atoms:   | 17 |