Drug Information

Drug ID:  NPD5329
Drug Name:  medroxyprogesterone
Molecular Formula:  C22H32O3
Canonical SMILES:  O=C1CC[C@]2(C(=C1)[C@@H](C)C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C
Standard InCHI:  InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1
Standard InCHIKey:  FRQMUZJSZHZSGN-HBNHAYAOSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD5329

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 0.9873 NPC144258
High Similarity 0.962 NPC193347
High Similarity 0.9286 NPC310010
High Similarity 0.9286 NPC326627
High Similarity 0.9146 NPC237712
High Similarity 0.9059 NPC76879
High Similarity 0.9 NPC215843
High Similarity 0.8966 NPC233118
High Similarity 0.8929 NPC327115
High Similarity 0.8916 NPC329043
High Similarity 0.8916 NPC161423
High Similarity 0.8916 NPC58841
High Similarity 0.8916 NPC227064
High Similarity 0.8916 NPC321187
High Similarity 0.8916 NPC214043
High Similarity 0.8916 NPC85774
High Similarity 0.8916 NPC82902
High Similarity 0.8902 NPC320514
High Similarity 0.8837 NPC305039
High Similarity 0.8837 NPC477943
High Similarity 0.8824 NPC136948
High Similarity 0.881 NPC474218
High Similarity 0.881 NPC469948
High Similarity 0.881 NPC29447
High Similarity 0.878 NPC147066
High Similarity 0.878 NPC477372
High Similarity 0.8706 NPC145879
High Similarity 0.8706 NPC474778
High Similarity 0.8706 NPC469994
High Similarity 0.8706 NPC474733
High Similarity 0.8706 NPC31564
High Similarity 0.8706 NPC474732
High Similarity 0.8706 NPC51014
High Similarity 0.869 NPC473246
High Similarity 0.869 NPC472480
High Similarity 0.8621 NPC474245
High Similarity 0.8621 NPC2983
High Similarity 0.8621 NPC262043
High Similarity 0.8605 NPC93778
High Similarity 0.8605 NPC475740
High Similarity 0.8605 NPC58063
High Similarity 0.8605 NPC317590
High Similarity 0.8571 NPC477852
High Similarity 0.8571 NPC18509
High Similarity 0.8571 NPC53733
High Similarity 0.8554 NPC38350
High Similarity 0.8554 NPC201912
High Similarity 0.8537 NPC477371
High Similarity 0.8523 NPC320026
High Similarity 0.8523 NPC171441
High Similarity 0.8506 NPC328313
Intermediate Similarity 0.8488 NPC20688
Intermediate Similarity 0.8471 NPC221758
Intermediate Similarity 0.8471 NPC59453
Intermediate Similarity 0.8462 NPC49371
Intermediate Similarity 0.8452 NPC260956
Intermediate Similarity 0.8444 NPC196485
Intermediate Similarity 0.8444 NPC245972
Intermediate Similarity 0.8444 NPC111015
Intermediate Similarity 0.8434 NPC476809
Intermediate Similarity 0.8434 NPC472478
Intermediate Similarity 0.8434 NPC2482
Intermediate Similarity 0.8434 NPC108955
Intermediate Similarity 0.8427 NPC475806
Intermediate Similarity 0.8427 NPC185936
Intermediate Similarity 0.8427 NPC168027
Intermediate Similarity 0.8415 NPC471409
Intermediate Similarity 0.8415 NPC476808
Intermediate Similarity 0.8415 NPC275494
Intermediate Similarity 0.8409 NPC268406
Intermediate Similarity 0.8409 NPC1015
Intermediate Similarity 0.8409 NPC31985
Intermediate Similarity 0.8409 NPC26959
Intermediate Similarity 0.8409 NPC309603
Intermediate Similarity 0.8409 NPC186688
Intermediate Similarity 0.8409 NPC473999
Intermediate Similarity 0.8404 NPC87351
Intermediate Similarity 0.8391 NPC472484
Intermediate Similarity 0.8391 NPC472481
Intermediate Similarity 0.8391 NPC472482
Intermediate Similarity 0.8391 NPC90652
Intermediate Similarity 0.8387 NPC144956
Intermediate Similarity 0.8387 NPC474720
Intermediate Similarity 0.8372 NPC471224
Intermediate Similarity 0.8372 NPC470574
Intermediate Similarity 0.8372 NPC469993
Intermediate Similarity 0.8353 NPC83569
Intermediate Similarity 0.8353 NPC477373
Intermediate Similarity 0.8353 NPC470015
Intermediate Similarity 0.8353 NPC168188
Intermediate Similarity 0.8353 NPC69279
Intermediate Similarity 0.8333 NPC150506
Intermediate Similarity 0.8333 NPC12722
Intermediate Similarity 0.8333 NPC278459
Intermediate Similarity 0.8333 NPC474807
Intermediate Similarity 0.8333 NPC250575
Intermediate Similarity 0.8333 NPC471898
Intermediate Similarity 0.8333 NPC55869
Intermediate Similarity 0.8333 NPC473217
Intermediate Similarity 0.8316 NPC311612
Intermediate Similarity 0.8315 NPC129913
Intermediate Similarity 0.8315 NPC48010
Intermediate Similarity 0.8295 NPC470417
Intermediate Similarity 0.8295 NPC471722
Intermediate Similarity 0.8295 NPC328539
Intermediate Similarity 0.8295 NPC472483
Intermediate Similarity 0.8293 NPC165711
Intermediate Similarity 0.828 NPC147954
Intermediate Similarity 0.8276 NPC118648
Intermediate Similarity 0.8276 NPC472479
Intermediate Similarity 0.8276 NPC475022
Intermediate Similarity 0.8276 NPC473168
Intermediate Similarity 0.8276 NPC72133
Intermediate Similarity 0.8276 NPC195640
Intermediate Similarity 0.8276 NPC222613
Intermediate Similarity 0.8272 NPC251435
Intermediate Similarity 0.8256 NPC472265
Intermediate Similarity 0.825 NPC474228
Intermediate Similarity 0.825 NPC303613
Intermediate Similarity 0.8242 NPC8993
Intermediate Similarity 0.8235 NPC133391
Intermediate Similarity 0.8235 NPC151519
Intermediate Similarity 0.8228 NPC159577
Intermediate Similarity 0.8228 NPC307176
Intermediate Similarity 0.8228 NPC282593
Intermediate Similarity 0.8228 NPC35734
Intermediate Similarity 0.8222 NPC154101
Intermediate Similarity 0.8222 NPC473998
Intermediate Similarity 0.8222 NPC204341
Intermediate Similarity 0.8222 NPC272746
Intermediate Similarity 0.8214 NPC18955
Intermediate Similarity 0.8202 NPC86319
Intermediate Similarity 0.8202 NPC32830
Intermediate Similarity 0.8202 NPC275740
Intermediate Similarity 0.8202 NPC215029
Intermediate Similarity 0.8202 NPC476733
Intermediate Similarity 0.8193 NPC82635
Intermediate Similarity 0.8193 NPC469996
Intermediate Similarity 0.8191 NPC154072
Intermediate Similarity 0.8182 NPC136548
Intermediate Similarity 0.8182 NPC96496
Intermediate Similarity 0.8171 NPC92080
Intermediate Similarity 0.8161 NPC6185
Intermediate Similarity 0.8161 NPC123319
Intermediate Similarity 0.8161 NPC323765
Intermediate Similarity 0.8161 NPC474083
Intermediate Similarity 0.8161 NPC311702
Intermediate Similarity 0.8161 NPC241512
Intermediate Similarity 0.8161 NPC94531
Intermediate Similarity 0.8152 NPC271195
Intermediate Similarity 0.8152 NPC472932
Intermediate Similarity 0.8144 NPC257353
Intermediate Similarity 0.814 NPC472492
Intermediate Similarity 0.814 NPC105803
Intermediate Similarity 0.8132 NPC474736
Intermediate Similarity 0.8132 NPC475255
Intermediate Similarity 0.8125 NPC111323
Intermediate Similarity 0.8125 NPC115023
Intermediate Similarity 0.8118 NPC6434
Intermediate Similarity 0.8118 NPC225515
Intermediate Similarity 0.8118 NPC121984
Intermediate Similarity 0.8111 NPC191684
Intermediate Similarity 0.8111 NPC126993
Intermediate Similarity 0.8111 NPC85173
Intermediate Similarity 0.8111 NPC69622
Intermediate Similarity 0.8101 NPC139397
Intermediate Similarity 0.8095 NPC158846
Intermediate Similarity 0.8095 NPC472490
Intermediate Similarity 0.8095 NPC231431
Intermediate Similarity 0.8095 NPC192329
Intermediate Similarity 0.809 NPC117122
Intermediate Similarity 0.809 NPC131470
Intermediate Similarity 0.809 NPC320665
Intermediate Similarity 0.809 NPC193360
Intermediate Similarity 0.809 NPC143767
Intermediate Similarity 0.8072 NPC257666
Intermediate Similarity 0.8072 NPC266193
Intermediate Similarity 0.8072 NPC66105
Intermediate Similarity 0.8068 NPC155011
Intermediate Similarity 0.8068 NPC89077
Intermediate Similarity 0.8068 NPC472869
Intermediate Similarity 0.8068 NPC94666
Intermediate Similarity 0.8065 NPC192428
Intermediate Similarity 0.8061 NPC185
Intermediate Similarity 0.8046 NPC164577
Intermediate Similarity 0.8046 NPC476412
Intermediate Similarity 0.8046 NPC33913
Intermediate Similarity 0.8046 NPC96095
Intermediate Similarity 0.8041 NPC137657
Intermediate Similarity 0.8041 NPC235889
Intermediate Similarity 0.8025 NPC251705
Intermediate Similarity 0.8023 NPC100297
Intermediate Similarity 0.8023 NPC103486
Intermediate Similarity 0.8023 NPC469325
Intermediate Similarity 0.8023 NPC48362
Intermediate Similarity 0.8023 NPC472239
Intermediate Similarity 0.8022 NPC262870
Intermediate Similarity 0.8021 NPC477915
Intermediate Similarity 0.8021 NPC22388
Intermediate Similarity 0.8 NPC68148

Drug Structure

External Identifiers

TTD   DAP001211
DrugBank  
ChEMBL  
IUPHAR/BPS   2879
PharmaGKB  
KEGG Drug  
PubChem CID   10631
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  344.24
ALogP  0.1945
MLogP  3.55
XLogP  3.539
HDA  3
HBD  1
Rotatable Bonds  6
TPSA  54.37
RO5 Violation  0