Drug ID:   | NPD5279 |
Drug Name:   | Trimegestone |
Molecular Formula:   | C22H30O3 |
Canonical SMILES:   | O=C1CCC2=C3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C)C(=O)[C@@H](O)C)C |
Standard InCHI:   | InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1 |
Standard InCHIKey:   | JUNDJWOLDSCTFK-MTZCLOFQSA-N |
Max Developmental Stage:   | Phase 3 |
Max Developmental Stage Source:   | ChEMBL |
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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.
High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7
Similarity Level | Similarity Score | Natural Product ID |
---|---|---|
High Similarity | 0.9398 | NPC136548 |
High Similarity | 0.9294 | NPC129913 |
High Similarity | 0.9268 | NPC473246 |
High Similarity | 0.9268 | NPC237712 |
High Similarity | 0.9048 | NPC327115 |
High Similarity | 0.9036 | NPC85774 |
High Similarity | 0.9036 | NPC214043 |
High Similarity | 0.8966 | NPC19114 |
High Similarity | 0.8864 | NPC250575 |
High Similarity | 0.8837 | NPC471722 |
High Similarity | 0.8824 | NPC474732 |
High Similarity | 0.8824 | NPC474778 |
High Similarity | 0.8824 | NPC118648 |
High Similarity | 0.8824 | NPC31564 |
High Similarity | 0.8824 | NPC72133 |
High Similarity | 0.8824 | NPC51014 |
High Similarity | 0.8824 | NPC474733 |
High Similarity | 0.8824 | NPC475022 |
High Similarity | 0.8824 | NPC89077 |
High Similarity | 0.8824 | NPC145879 |
High Similarity | 0.8824 | NPC222613 |
High Similarity | 0.881 | NPC321187 |
High Similarity | 0.881 | NPC329043 |
High Similarity | 0.881 | NPC58841 |
High Similarity | 0.881 | NPC161423 |
High Similarity | 0.881 | NPC227064 |
High Similarity | 0.8795 | NPC103486 |
High Similarity | 0.875 | NPC185936 |
High Similarity | 0.875 | NPC168027 |
High Similarity | 0.8736 | NPC326627 |
High Similarity | 0.8736 | NPC310010 |
High Similarity | 0.8736 | NPC86319 |
High Similarity | 0.8736 | NPC275740 |
High Similarity | 0.8721 | NPC287079 |
High Similarity | 0.8721 | NPC58063 |
High Similarity | 0.8721 | NPC475740 |
High Similarity | 0.8706 | NPC470574 |
High Similarity | 0.8706 | NPC474083 |
High Similarity | 0.8706 | NPC469948 |
High Similarity | 0.8675 | NPC121984 |
High Similarity | 0.8675 | NPC225515 |
High Similarity | 0.8659 | NPC472490 |
High Similarity | 0.8652 | NPC134826 |
High Similarity | 0.8636 | NPC69622 |
High Similarity | 0.8636 | NPC191684 |
High Similarity | 0.8621 | NPC44181 |
High Similarity | 0.8621 | NPC143767 |
High Similarity | 0.8621 | NPC328539 |
High Similarity | 0.8621 | NPC131470 |
High Similarity | 0.8605 | NPC473168 |
High Similarity | 0.8605 | NPC20688 |
High Similarity | 0.8588 | NPC82902 |
High Similarity | 0.8588 | NPC221758 |
High Similarity | 0.8588 | NPC59453 |
High Similarity | 0.8588 | NPC144258 |
High Similarity | 0.8571 | NPC151519 |
High Similarity | 0.8556 | NPC245972 |
High Similarity | 0.8556 | NPC196485 |
High Similarity | 0.8554 | NPC472478 |
High Similarity | 0.8523 | NPC473999 |
High Similarity | 0.8523 | NPC1015 |
High Similarity | 0.8523 | NPC186688 |
High Similarity | 0.8523 | NPC477943 |
High Similarity | 0.8523 | NPC31985 |
High Similarity | 0.8523 | NPC102414 |
High Similarity | 0.8523 | NPC84271 |
High Similarity | 0.8523 | NPC76879 |
High Similarity | 0.8523 | NPC474245 |
High Similarity | 0.8523 | NPC26959 |
High Similarity | 0.8523 | NPC309603 |
High Similarity | 0.8523 | NPC77168 |
High Similarity | 0.8523 | NPC268406 |
High Similarity | 0.8506 | NPC141292 |
High Similarity | 0.8506 | NPC93778 |
Intermediate Similarity | 0.8488 | NPC32037 |
Intermediate Similarity | 0.8488 | NPC474218 |
Intermediate Similarity | 0.8488 | NPC471224 |
Intermediate Similarity | 0.8471 | NPC69279 |
Intermediate Similarity | 0.8471 | NPC83569 |
Intermediate Similarity | 0.8462 | NPC280725 |
Intermediate Similarity | 0.8452 | NPC136150 |
Intermediate Similarity | 0.8444 | NPC69454 |
Intermediate Similarity | 0.8444 | NPC66429 |
Intermediate Similarity | 0.8444 | NPC472930 |
Intermediate Similarity | 0.8444 | NPC472942 |
Intermediate Similarity | 0.8444 | NPC152897 |
Intermediate Similarity | 0.8444 | NPC12722 |
Intermediate Similarity | 0.8444 | NPC233118 |
Intermediate Similarity | 0.8427 | NPC48010 |
Intermediate Similarity | 0.8427 | NPC183283 |
Intermediate Similarity | 0.8409 | NPC310752 |
Intermediate Similarity | 0.8409 | NPC471724 |
Intermediate Similarity | 0.8409 | NPC292491 |
Intermediate Similarity | 0.8391 | NPC469994 |
Intermediate Similarity | 0.8391 | NPC94666 |
Intermediate Similarity | 0.8391 | NPC94755 |
Intermediate Similarity | 0.8387 | NPC235464 |
Intermediate Similarity | 0.8387 | NPC166745 |
Intermediate Similarity | 0.8387 | NPC147954 |
Intermediate Similarity | 0.8372 | NPC472265 |
Intermediate Similarity | 0.837 | NPC96859 |
Intermediate Similarity | 0.837 | NPC192428 |
Intermediate Similarity | 0.837 | NPC305483 |
Intermediate Similarity | 0.837 | NPC328162 |
Intermediate Similarity | 0.8353 | NPC48362 |
Intermediate Similarity | 0.8353 | NPC193347 |
Intermediate Similarity | 0.8333 | NPC63748 |
Intermediate Similarity | 0.8333 | NPC2482 |
Intermediate Similarity | 0.8333 | NPC233116 |
Intermediate Similarity | 0.8333 | NPC272746 |
Intermediate Similarity | 0.8333 | NPC108955 |
Intermediate Similarity | 0.8333 | NPC473998 |
Intermediate Similarity | 0.8333 | NPC475806 |
Intermediate Similarity | 0.8315 | NPC119416 |
Intermediate Similarity | 0.8315 | NPC123912 |
Intermediate Similarity | 0.8313 | NPC189485 |
Intermediate Similarity | 0.8298 | NPC474720 |
Intermediate Similarity | 0.8295 | NPC187376 |
Intermediate Similarity | 0.8295 | NPC90652 |
Intermediate Similarity | 0.8295 | NPC317590 |
Intermediate Similarity | 0.8295 | NPC99909 |
Intermediate Similarity | 0.8295 | NPC159046 |
Intermediate Similarity | 0.8295 | NPC233836 |
Intermediate Similarity | 0.8295 | NPC475772 |
Intermediate Similarity | 0.8293 | NPC263582 |
Intermediate Similarity | 0.8293 | NPC470525 |
Intermediate Similarity | 0.828 | NPC18509 |
Intermediate Similarity | 0.828 | NPC43747 |
Intermediate Similarity | 0.828 | NPC473161 |
Intermediate Similarity | 0.8276 | NPC470048 |
Intermediate Similarity | 0.8276 | NPC36350 |
Intermediate Similarity | 0.8261 | NPC127063 |
Intermediate Similarity | 0.8261 | NPC472932 |
Intermediate Similarity | 0.8261 | NPC263347 |
Intermediate Similarity | 0.8261 | NPC259286 |
Intermediate Similarity | 0.8256 | NPC476082 |
Intermediate Similarity | 0.8256 | NPC278648 |
Intermediate Similarity | 0.8242 | NPC474736 |
Intermediate Similarity | 0.8242 | NPC211230 |
Intermediate Similarity | 0.8242 | NPC475255 |
Intermediate Similarity | 0.8235 | NPC116797 |
Intermediate Similarity | 0.8235 | NPC6663 |
Intermediate Similarity | 0.8235 | NPC201912 |
Intermediate Similarity | 0.8235 | NPC55869 |
Intermediate Similarity | 0.8235 | NPC4166 |
Intermediate Similarity | 0.8235 | NPC38350 |
Intermediate Similarity | 0.8235 | NPC477372 |
Intermediate Similarity | 0.8222 | NPC85173 |
Intermediate Similarity | 0.8222 | NPC126993 |
Intermediate Similarity | 0.8214 | NPC27817 |
Intermediate Similarity | 0.8214 | NPC229204 |
Intermediate Similarity | 0.8214 | NPC308038 |
Intermediate Similarity | 0.8214 | NPC474113 |
Intermediate Similarity | 0.8202 | NPC328313 |
Intermediate Similarity | 0.8202 | NPC470417 |
Intermediate Similarity | 0.8193 | NPC197659 |
Intermediate Similarity | 0.8191 | NPC471717 |
Intermediate Similarity | 0.8191 | NPC103051 |
Intermediate Similarity | 0.8182 | NPC472974 |
Intermediate Similarity | 0.8182 | NPC155011 |
Intermediate Similarity | 0.8182 | NPC28252 |
Intermediate Similarity | 0.8182 | NPC55309 |
Intermediate Similarity | 0.8172 | NPC155676 |
Intermediate Similarity | 0.8172 | NPC249954 |
Intermediate Similarity | 0.8172 | NPC472941 |
Intermediate Similarity | 0.8172 | NPC456 |
Intermediate Similarity | 0.8171 | NPC114236 |
Intermediate Similarity | 0.8161 | NPC165064 |
Intermediate Similarity | 0.8161 | NPC33913 |
Intermediate Similarity | 0.8152 | NPC166906 |
Intermediate Similarity | 0.8152 | NPC474328 |
Intermediate Similarity | 0.8152 | NPC8993 |
Intermediate Similarity | 0.8152 | NPC469406 |
Intermediate Similarity | 0.8152 | NPC473172 |
Intermediate Similarity | 0.8152 | NPC111015 |
Intermediate Similarity | 0.8152 | NPC474882 |
Intermediate Similarity | 0.814 | NPC260956 |
Intermediate Similarity | 0.814 | NPC320514 |
Intermediate Similarity | 0.814 | NPC311092 |
Intermediate Similarity | 0.8132 | NPC131872 |
Intermediate Similarity | 0.8132 | NPC204341 |
Intermediate Similarity | 0.8118 | NPC45495 |
Intermediate Similarity | 0.8111 | NPC32830 |
Intermediate Similarity | 0.8111 | NPC2983 |
Intermediate Similarity | 0.8111 | NPC214387 |
Intermediate Similarity | 0.8111 | NPC54689 |
Intermediate Similarity | 0.8105 | NPC327431 |
Intermediate Similarity | 0.8105 | NPC144956 |
Intermediate Similarity | 0.8095 | NPC82635 |
Intermediate Similarity | 0.8095 | NPC62336 |
Intermediate Similarity | 0.8095 | NPC469996 |
Intermediate Similarity | 0.809 | NPC142361 |
Intermediate Similarity | 0.809 | NPC474684 |
Intermediate Similarity | 0.809 | NPC96496 |
Intermediate Similarity | 0.8085 | NPC472074 |
Intermediate Similarity | 0.8085 | NPC472073 |
Intermediate Similarity | 0.8072 | NPC250621 |
Intermediate Similarity | 0.8072 | NPC92080 |
Intermediate Similarity | 0.8072 | NPC110725 |
Intermediate Similarity | 0.8068 | NPC132228 |
TTD   | DNAP001371 |
DrugBank   | |
ChEMBL   | |
IUPHAR/BPS   | |
PharmaGKB   | |
KEGG Drug   | |
PubChem CID   | 68926 |
ChEBI   | |
CAS Number   |
Molecular Weight   | 342.22 |
ALogP   | 0.4822 |
MLogP   | 3.55 |
XLogP   | 3.218 |
HDA   | 3 |
HBD   | 1 |
Rotatable Bonds   | 6 |
TPSA   | 54.37 |
RO5 Violation   | 0 |