Drug Information

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

  Structural Similarity Between NPASS Natural Products and NPD5279

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.


  Similar Natural Products

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

Drug Structure

External Identifiers

TTD   DNAP001371
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   68926
ChEBI  
CAS Number  

Drug Properties

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