Drug Information

Drug ID:  NPD6080
Drug Name:  Medroxyprogesterone Acetate
Molecular Formula:  C24H34O4
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(OC(=O)C)C(=O)C)C)C
Standard InCHI:  InChI=1S/C24H34O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h13-14,18-20H,6-12H2,1-5H3/t14-,18+,19-,20-,22+,23-,24-/m0/s1
Standard InCHIKey:  PSGAAPLEWMOORI-PEINSRQWSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6080

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 1.0 NPC305039
High Similarity 0.8953 NPC195640
High Similarity 0.8837 NPC323765
High Similarity 0.8721 NPC144258
High Similarity 0.8636 NPC136948
High Similarity 0.8632 NPC308351
High Similarity 0.8632 NPC271266
High Similarity 0.8539 NPC28227
Intermediate Similarity 0.8488 NPC320514
Intermediate Similarity 0.8488 NPC193347
Intermediate Similarity 0.8488 NPC327969
Intermediate Similarity 0.8488 NPC100297
Intermediate Similarity 0.8488 NPC321289
Intermediate Similarity 0.8478 NPC472223
Intermediate Similarity 0.8478 NPC472224
Intermediate Similarity 0.8444 NPC310010
Intermediate Similarity 0.8444 NPC326627
Intermediate Similarity 0.8444 NPC262043
Intermediate Similarity 0.8409 NPC29447
Intermediate Similarity 0.8409 NPC470223
Intermediate Similarity 0.8372 NPC147066
Intermediate Similarity 0.8372 NPC477372
Intermediate Similarity 0.8367 NPC470267
Intermediate Similarity 0.8333 NPC472300
Intermediate Similarity 0.8298 NPC322063
Intermediate Similarity 0.8295 NPC320801
Intermediate Similarity 0.8283 NPC44063
Intermediate Similarity 0.828 NPC294266
Intermediate Similarity 0.8276 NPC240302
Intermediate Similarity 0.8265 NPC235889
Intermediate Similarity 0.8261 NPC154101
Intermediate Similarity 0.8261 NPC218301
Intermediate Similarity 0.8247 NPC22388
Intermediate Similarity 0.8242 NPC476733
Intermediate Similarity 0.8242 NPC215029
Intermediate Similarity 0.8242 NPC474570
Intermediate Similarity 0.82 NPC470269
Intermediate Similarity 0.8191 NPC171395
Intermediate Similarity 0.8191 NPC469599
Intermediate Similarity 0.8182 NPC168188
Intermediate Similarity 0.8182 NPC271784
Intermediate Similarity 0.8182 NPC477852
Intermediate Similarity 0.8182 NPC181265
Intermediate Similarity 0.8182 NPC470015
Intermediate Similarity 0.8182 NPC477373
Intermediate Similarity 0.8172 NPC472226
Intermediate Similarity 0.8172 NPC233118
Intermediate Similarity 0.8172 NPC472225
Intermediate Similarity 0.8161 NPC201912
Intermediate Similarity 0.8161 NPC278459
Intermediate Similarity 0.8161 NPC38350
Intermediate Similarity 0.814 NPC477371
Intermediate Similarity 0.8137 NPC43775
Intermediate Similarity 0.8125 NPC176845
Intermediate Similarity 0.8119 NPC2766
Intermediate Similarity 0.8111 NPC472863
Intermediate Similarity 0.8111 NPC264127
Intermediate Similarity 0.8105 NPC111684
Intermediate Similarity 0.8105 NPC58052
Intermediate Similarity 0.809 NPC237712
Intermediate Similarity 0.809 NPC100391
Intermediate Similarity 0.8068 NPC133391
Intermediate Similarity 0.8068 NPC260956
Intermediate Similarity 0.8065 NPC204341
Intermediate Similarity 0.8043 NPC477943
Intermediate Similarity 0.8043 NPC473039
Intermediate Similarity 0.8043 NPC76879
Intermediate Similarity 0.8043 NPC285982
Intermediate Similarity 0.8023 NPC469996
Intermediate Similarity 0.8022 NPC96496
Intermediate Similarity 0.8021 NPC107243
Intermediate Similarity 0.8021 NPC57416
Intermediate Similarity 0.8021 NPC475894
Intermediate Similarity 0.8 NPC475571
Intermediate Similarity 0.8 NPC474680
Intermediate Similarity 0.8 NPC311702
Intermediate Similarity 0.8 NPC94531
Intermediate Similarity 0.8 NPC196528
Intermediate Similarity 0.8 NPC123319
Intermediate Similarity 0.798 NPC36321
Intermediate Similarity 0.7978 NPC83569
Intermediate Similarity 0.7978 NPC105803
Intermediate Similarity 0.7978 NPC69279
Intermediate Similarity 0.7978 NPC469561
Intermediate Similarity 0.7961 NPC231589
Intermediate Similarity 0.7961 NPC214797
Intermediate Similarity 0.7961 NPC118860
Intermediate Similarity 0.7959 NPC99411
Intermediate Similarity 0.7957 NPC474842
Intermediate Similarity 0.7957 NPC472866
Intermediate Similarity 0.7957 NPC475965
Intermediate Similarity 0.7957 NPC471896
Intermediate Similarity 0.7955 NPC471898
Intermediate Similarity 0.7941 NPC258543
Intermediate Similarity 0.7941 NPC241927
Intermediate Similarity 0.7941 NPC304495
Intermediate Similarity 0.7938 NPC153792
Intermediate Similarity 0.7938 NPC271387
Intermediate Similarity 0.7935 NPC97884
Intermediate Similarity 0.7935 NPC472870
Intermediate Similarity 0.7935 NPC117122
Intermediate Similarity 0.7935 NPC472220
Intermediate Similarity 0.7931 NPC192329
Intermediate Similarity 0.7931 NPC215843
Intermediate Similarity 0.7931 NPC118987
Intermediate Similarity 0.7931 NPC471475
Intermediate Similarity 0.7921 NPC475294
Intermediate Similarity 0.7912 NPC327115
Intermediate Similarity 0.7912 NPC472869
Intermediate Similarity 0.7907 NPC165711
Intermediate Similarity 0.79 NPC228669
Intermediate Similarity 0.79 NPC137657
Intermediate Similarity 0.79 NPC164835
Intermediate Similarity 0.79 NPC13385
Intermediate Similarity 0.7895 NPC124207
Intermediate Similarity 0.7889 NPC161423
Intermediate Similarity 0.7889 NPC321187
Intermediate Similarity 0.7889 NPC227064
Intermediate Similarity 0.7889 NPC96095
Intermediate Similarity 0.7889 NPC85774
Intermediate Similarity 0.7889 NPC58841
Intermediate Similarity 0.7889 NPC329043
Intermediate Similarity 0.7889 NPC82902
Intermediate Similarity 0.7889 NPC156981
Intermediate Similarity 0.7889 NPC164577
Intermediate Similarity 0.7889 NPC214043
Intermediate Similarity 0.7885 NPC100267
Intermediate Similarity 0.7885 NPC170487
Intermediate Similarity 0.7885 NPC475524
Intermediate Similarity 0.7879 NPC473928
Intermediate Similarity 0.7872 NPC150383
Intermediate Similarity 0.7857 NPC474228
Intermediate Similarity 0.7857 NPC303613
Intermediate Similarity 0.7849 NPC177141
Intermediate Similarity 0.7849 NPC54689
Intermediate Similarity 0.7849 NPC474245
Intermediate Similarity 0.7841 NPC474956
Intermediate Similarity 0.7841 NPC37038
Intermediate Similarity 0.7841 NPC170038
Intermediate Similarity 0.7841 NPC267517
Intermediate Similarity 0.7835 NPC216904
Intermediate Similarity 0.7835 NPC187159
Intermediate Similarity 0.7835 NPC23680
Intermediate Similarity 0.7835 NPC151488
Intermediate Similarity 0.7835 NPC18509
Intermediate Similarity 0.7831 NPC159577
Intermediate Similarity 0.7831 NPC282593
Intermediate Similarity 0.7831 NPC35734
Intermediate Similarity 0.7831 NPC307176
Intermediate Similarity 0.7826 NPC128644
Intermediate Similarity 0.7826 NPC30421
Intermediate Similarity 0.7826 NPC317590
Intermediate Similarity 0.7826 NPC167877
Intermediate Similarity 0.7816 NPC321514
Intermediate Similarity 0.7816 NPC63020
Intermediate Similarity 0.7812 NPC33473
Intermediate Similarity 0.7802 NPC469948
Intermediate Similarity 0.7802 NPC241512
Intermediate Similarity 0.7802 NPC189311
Intermediate Similarity 0.7802 NPC6185
Intermediate Similarity 0.7802 NPC269638
Intermediate Similarity 0.7802 NPC2709
Intermediate Similarity 0.7802 NPC474218
Intermediate Similarity 0.7802 NPC11711
Intermediate Similarity 0.7802 NPC133652
Intermediate Similarity 0.7802 NPC473038
Intermediate Similarity 0.78 NPC474207
Intermediate Similarity 0.78 NPC474330
Intermediate Similarity 0.7791 NPC180886
Intermediate Similarity 0.7789 NPC109414
Intermediate Similarity 0.7789 NPC470375
Intermediate Similarity 0.7789 NPC243866
Intermediate Similarity 0.7789 NPC470376
Intermediate Similarity 0.7789 NPC66429
Intermediate Similarity 0.7789 NPC79117
Intermediate Similarity 0.7789 NPC152897
Intermediate Similarity 0.7789 NPC263780
Intermediate Similarity 0.7778 NPC474327
Intermediate Similarity 0.7778 NPC470047
Intermediate Similarity 0.7778 NPC167103
Intermediate Similarity 0.7778 NPC470046
Intermediate Similarity 0.7778 NPC270155
Intermediate Similarity 0.7778 NPC475867
Intermediate Similarity 0.7778 NPC97913
Intermediate Similarity 0.7778 NPC310981
Intermediate Similarity 0.7778 NPC170862
Intermediate Similarity 0.7766 NPC171441
Intermediate Similarity 0.7766 NPC223093
Intermediate Similarity 0.7766 NPC111585
Intermediate Similarity 0.7766 NPC320026
Intermediate Similarity 0.7766 NPC148414
Intermediate Similarity 0.7766 NPC175628
Intermediate Similarity 0.7765 NPC166797
Intermediate Similarity 0.7755 NPC471582
Intermediate Similarity 0.7755 NPC197386
Intermediate Similarity 0.7755 NPC112753
Intermediate Similarity 0.7755 NPC275439
Intermediate Similarity 0.7755 NPC235464
Intermediate Similarity 0.7755 NPC166745
Intermediate Similarity 0.7753 NPC475833

Drug Structure

External Identifiers

TTD   DAP001211
DrugBank   DB00603
ChEMBL   CHEMBL717
IUPHAR/BPS  
PharmaGKB   PA450344
KEGG Drug   D00951
PubChem CID  
ChEBI   6716
CAS Number  71-58-9

Drug Properties

Molecular Weight  386.25
ALogP  0.5736
MLogP  3.66
XLogP  4.279
HDA  4
HBD  0
Rotatable Bonds  8
TPSA  60.44
RO5 Violation  0