Drug Information

Drug ID:  NPD5733
Drug Name:  Medrogestone
Molecular Formula:  C23H32O2
Canonical SMILES:  O=C1CC[C@]2(C(=C1)C(=C[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)C(=O)C)C)C)C
Standard InCHI:  InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1
Standard InCHIKey:  HCFSGRMEEXUOSS-JXEXPEPMSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5733

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 0.9315 NPC170793
High Similarity 0.9286 NPC303613
High Similarity 0.9286 NPC474228
High Similarity 0.9286 NPC470044
High Similarity 0.9286 NPC470045
High Similarity 0.9275 NPC35734
High Similarity 0.9275 NPC159577
High Similarity 0.9275 NPC282593
High Similarity 0.9275 NPC307176
High Similarity 0.9143 NPC470078
High Similarity 0.9143 NPC181204
High Similarity 0.9143 NPC115023
High Similarity 0.913 NPC139397
High Similarity 0.9028 NPC473171
High Similarity 0.9014 NPC251705
High Similarity 0.9 NPC265782
High Similarity 0.9 NPC251929
High Similarity 0.9 NPC2634
High Similarity 0.9 NPC260040
High Similarity 0.8986 NPC20610
High Similarity 0.8986 NPC310992
High Similarity 0.8904 NPC69408
High Similarity 0.8889 NPC309852
High Similarity 0.8889 NPC329866
High Similarity 0.8889 NPC474797
High Similarity 0.8889 NPC255021
High Similarity 0.8889 NPC474796
High Similarity 0.8873 NPC234707
High Similarity 0.8873 NPC223187
High Similarity 0.8873 NPC54123
High Similarity 0.8873 NPC305501
High Similarity 0.8857 NPC182815
High Similarity 0.88 NPC90965
High Similarity 0.8767 NPC293803
High Similarity 0.8718 NPC87552
High Similarity 0.8714 NPC260474
High Similarity 0.8714 NPC188292
High Similarity 0.8667 NPC469996
High Similarity 0.8611 NPC5701
High Similarity 0.8592 NPC256846
High Similarity 0.8571 NPC4166
High Similarity 0.8514 NPC255650
Intermediate Similarity 0.8472 NPC477856
Intermediate Similarity 0.8472 NPC40574
Intermediate Similarity 0.8472 NPC214770
Intermediate Similarity 0.8462 NPC3511
Intermediate Similarity 0.8462 NPC142253
Intermediate Similarity 0.8462 NPC311092
Intermediate Similarity 0.8451 NPC87141
Intermediate Similarity 0.8442 NPC474509
Intermediate Similarity 0.8429 NPC323005
Intermediate Similarity 0.8406 NPC212210
Intermediate Similarity 0.84 NPC469796
Intermediate Similarity 0.84 NPC469793
Intermediate Similarity 0.8382 NPC213152
Intermediate Similarity 0.8356 NPC190035
Intermediate Similarity 0.8354 NPC83569
Intermediate Similarity 0.8354 NPC41539
Intermediate Similarity 0.8354 NPC69279
Intermediate Similarity 0.831 NPC176107
Intermediate Similarity 0.8286 NPC251118
Intermediate Similarity 0.8261 NPC165695
Intermediate Similarity 0.825 NPC473246
Intermediate Similarity 0.8235 NPC127582
Intermediate Similarity 0.8228 NPC321289
Intermediate Similarity 0.8228 NPC320514
Intermediate Similarity 0.8228 NPC472239
Intermediate Similarity 0.8228 NPC327969
Intermediate Similarity 0.8182 NPC189485
Intermediate Similarity 0.8182 NPC470052
Intermediate Similarity 0.8182 NPC82635
Intermediate Similarity 0.8171 NPC136548
Intermediate Similarity 0.8169 NPC92327
Intermediate Similarity 0.8148 NPC472940
Intermediate Similarity 0.8148 NPC472931
Intermediate Similarity 0.8148 NPC8571
Intermediate Similarity 0.8148 NPC11711
Intermediate Similarity 0.8148 NPC470048
Intermediate Similarity 0.8143 NPC285371
Intermediate Similarity 0.8143 NPC469662
Intermediate Similarity 0.8143 NPC4638
Intermediate Similarity 0.8143 NPC475124
Intermediate Similarity 0.8125 NPC168188
Intermediate Similarity 0.8125 NPC470015
Intermediate Similarity 0.8116 NPC60565
Intermediate Similarity 0.8101 NPC201912
Intermediate Similarity 0.8101 NPC477372
Intermediate Similarity 0.8101 NPC38350
Intermediate Similarity 0.8088 NPC472304
Intermediate Similarity 0.8088 NPC259261
Intermediate Similarity 0.8088 NPC276764
Intermediate Similarity 0.8082 NPC477857
Intermediate Similarity 0.8082 NPC286814
Intermediate Similarity 0.8077 NPC27817
Intermediate Similarity 0.8056 NPC475523
Intermediate Similarity 0.8056 NPC193770
Intermediate Similarity 0.8052 NPC91665
Intermediate Similarity 0.8049 NPC475022
Intermediate Similarity 0.8049 NPC222613
Intermediate Similarity 0.8049 NPC118648
Intermediate Similarity 0.8025 NPC214043
Intermediate Similarity 0.8025 NPC320801
Intermediate Similarity 0.8025 NPC85774
Intermediate Similarity 0.8 NPC202118
Intermediate Similarity 0.8 NPC197238
Intermediate Similarity 0.8 NPC193347
Intermediate Similarity 0.8 NPC469805
Intermediate Similarity 0.8 NPC260956
Intermediate Similarity 0.8 NPC288253
Intermediate Similarity 0.8 NPC204341
Intermediate Similarity 0.8 NPC472306
Intermediate Similarity 0.8 NPC472867
Intermediate Similarity 0.8 NPC469804
Intermediate Similarity 0.7975 NPC287063
Intermediate Similarity 0.7971 NPC25853
Intermediate Similarity 0.7952 NPC476293
Intermediate Similarity 0.7949 NPC228911
Intermediate Similarity 0.7945 NPC82477
Intermediate Similarity 0.7945 NPC39157
Intermediate Similarity 0.7945 NPC296697
Intermediate Similarity 0.7945 NPC142754
Intermediate Similarity 0.7945 NPC155198
Intermediate Similarity 0.7941 NPC27610
Intermediate Similarity 0.7941 NPC94991
Intermediate Similarity 0.7941 NPC56905
Intermediate Similarity 0.7941 NPC266295
Intermediate Similarity 0.7927 NPC469948
Intermediate Similarity 0.7927 NPC94531
Intermediate Similarity 0.7927 NPC123319
Intermediate Similarity 0.7927 NPC311702
Intermediate Similarity 0.7927 NPC29447
Intermediate Similarity 0.7922 NPC1254
Intermediate Similarity 0.7922 NPC474463
Intermediate Similarity 0.7917 NPC39462
Intermediate Similarity 0.7917 NPC43300
Intermediate Similarity 0.7917 NPC189917
Intermediate Similarity 0.7917 NPC107704
Intermediate Similarity 0.7917 NPC168824
Intermediate Similarity 0.7917 NPC96812
Intermediate Similarity 0.7917 NPC176171
Intermediate Similarity 0.7907 NPC250575
Intermediate Similarity 0.7901 NPC474790
Intermediate Similarity 0.7901 NPC3856
Intermediate Similarity 0.7901 NPC279639
Intermediate Similarity 0.7901 NPC474976
Intermediate Similarity 0.7895 NPC128346
Intermediate Similarity 0.7895 NPC219232
Intermediate Similarity 0.7887 NPC473902
Intermediate Similarity 0.7882 NPC129913
Intermediate Similarity 0.7875 NPC475863
Intermediate Similarity 0.7875 NPC470034
Intermediate Similarity 0.7875 NPC147066
Intermediate Similarity 0.7867 NPC225467
Intermediate Similarity 0.7857 NPC471722
Intermediate Similarity 0.7848 NPC477371
Intermediate Similarity 0.7848 NPC215843
Intermediate Similarity 0.7848 NPC472490
Intermediate Similarity 0.7831 NPC89077
Intermediate Similarity 0.7831 NPC31564
Intermediate Similarity 0.7831 NPC145879
Intermediate Similarity 0.7831 NPC474733
Intermediate Similarity 0.7831 NPC72133
Intermediate Similarity 0.7831 NPC474732
Intermediate Similarity 0.7831 NPC474778
Intermediate Similarity 0.7821 NPC470557
Intermediate Similarity 0.7808 NPC220210
Intermediate Similarity 0.7808 NPC20181
Intermediate Similarity 0.7805 NPC16287
Intermediate Similarity 0.7805 NPC178025
Intermediate Similarity 0.7805 NPC237712
Intermediate Similarity 0.7805 NPC144258
Intermediate Similarity 0.7805 NPC181743
Intermediate Similarity 0.7794 NPC230823
Intermediate Similarity 0.7794 NPC55004
Intermediate Similarity 0.7794 NPC49575
Intermediate Similarity 0.7794 NPC267626
Intermediate Similarity 0.7792 NPC65650
Intermediate Similarity 0.7791 NPC19114
Intermediate Similarity 0.7778 NPC469806
Intermediate Similarity 0.7778 NPC469799
Intermediate Similarity 0.7778 NPC100297
Intermediate Similarity 0.7765 NPC86319
Intermediate Similarity 0.7765 NPC275740
Intermediate Similarity 0.7763 NPC56747
Intermediate Similarity 0.7763 NPC474488
Intermediate Similarity 0.7763 NPC109576
Intermediate Similarity 0.7763 NPC130016
Intermediate Similarity 0.7763 NPC180015
Intermediate Similarity 0.775 NPC469798
Intermediate Similarity 0.775 NPC472478
Intermediate Similarity 0.775 NPC469797
Intermediate Similarity 0.7746 NPC32285
Intermediate Similarity 0.7738 NPC75315
Intermediate Similarity 0.7738 NPC475740
Intermediate Similarity 0.7738 NPC93778
Intermediate Similarity 0.7738 NPC136948
Intermediate Similarity 0.7738 NPC58063
Intermediate Similarity 0.7738 NPC163016
Intermediate Similarity 0.7733 NPC246722
Intermediate Similarity 0.7733 NPC151045

Drug Structure

External Identifiers

TTD  
DrugBank   DB09124
ChEMBL   CHEMBL2106825
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   135446
CAS Number  977-79-7

Drug Properties

Molecular Weight  340.24
ALogP  2.0089
MLogP  3.77
XLogP  5.301
HDA  2
HBD  0
Rotatable Bonds  6
TPSA  34.14
RO5 Violation  1