Drug Information

Drug ID:  NPD1778
Drug Name:  Gemfibrozil
Molecular Formula:  C15H22O3
Canonical SMILES:  Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C
Standard InCHI:  InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
Standard InCHIKey:  HEMJJKBWTPKOJG-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD1778

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 0.8559 NPC322358
Intermediate Similarity 0.8462 NPC280760
Intermediate Similarity 0.843 NPC234956
Intermediate Similarity 0.843 NPC98748
Intermediate Similarity 0.839 NPC190212
Intermediate Similarity 0.8305 NPC26615
Intermediate Similarity 0.8293 NPC322569
Intermediate Similarity 0.8211 NPC193193
Intermediate Similarity 0.8211 NPC31314
Intermediate Similarity 0.8211 NPC14177
Intermediate Similarity 0.8182 NPC33717
Intermediate Similarity 0.8182 NPC475011
Intermediate Similarity 0.8182 NPC476018
Intermediate Similarity 0.8182 NPC475029
Intermediate Similarity 0.8175 NPC221798
Intermediate Similarity 0.8174 NPC238115
Intermediate Similarity 0.8174 NPC473855
Intermediate Similarity 0.8167 NPC235250
Intermediate Similarity 0.8167 NPC41851
Intermediate Similarity 0.816 NPC69403
Intermediate Similarity 0.816 NPC291189
Intermediate Similarity 0.812 NPC291837
Intermediate Similarity 0.811 NPC170749
Intermediate Similarity 0.8106 NPC213122
Intermediate Similarity 0.8095 NPC320287
Intermediate Similarity 0.808 NPC212965
Intermediate Similarity 0.8077 NPC249425
Intermediate Similarity 0.8067 NPC233238
Intermediate Similarity 0.8065 NPC474874
Intermediate Similarity 0.8051 NPC234639
Intermediate Similarity 0.8017 NPC87563
Intermediate Similarity 0.8017 NPC227255
Intermediate Similarity 0.8017 NPC473393
Intermediate Similarity 0.8017 NPC288760
Intermediate Similarity 0.8016 NPC120638
Intermediate Similarity 0.8 NPC475005
Intermediate Similarity 0.8 NPC476025
Intermediate Similarity 0.8 NPC474943
Intermediate Similarity 0.8 NPC475028
Intermediate Similarity 0.7984 NPC85895
Intermediate Similarity 0.7984 NPC142087
Intermediate Similarity 0.7984 NPC95034
Intermediate Similarity 0.7984 NPC471449
Intermediate Similarity 0.7984 NPC137294
Intermediate Similarity 0.7983 NPC25067
Intermediate Similarity 0.7983 NPC88868
Intermediate Similarity 0.7983 NPC231251
Intermediate Similarity 0.7967 NPC240664
Intermediate Similarity 0.7955 NPC317601
Intermediate Similarity 0.7955 NPC329427
Intermediate Similarity 0.7951 NPC51345
Intermediate Similarity 0.7949 NPC176971
Intermediate Similarity 0.7941 NPC475045
Intermediate Similarity 0.7939 NPC475102
Intermediate Similarity 0.7937 NPC476165
Intermediate Similarity 0.7934 NPC109241
Intermediate Similarity 0.7931 NPC108875
Intermediate Similarity 0.7931 NPC38079
Intermediate Similarity 0.7931 NPC283546
Intermediate Similarity 0.7923 NPC176590
Intermediate Similarity 0.792 NPC473290
Intermediate Similarity 0.792 NPC328485
Intermediate Similarity 0.792 NPC471504
Intermediate Similarity 0.7917 NPC275627
Intermediate Similarity 0.791 NPC51087
Intermediate Similarity 0.791 NPC161856
Intermediate Similarity 0.791 NPC291119
Intermediate Similarity 0.791 NPC281169
Intermediate Similarity 0.7907 NPC329272
Intermediate Similarity 0.7907 NPC475236
Intermediate Similarity 0.7903 NPC159916
Intermediate Similarity 0.7903 NPC205502
Intermediate Similarity 0.7899 NPC259554
Intermediate Similarity 0.7899 NPC149545
Intermediate Similarity 0.7891 NPC229113
Intermediate Similarity 0.7891 NPC474237
Intermediate Similarity 0.7886 NPC163398
Intermediate Similarity 0.7883 NPC475063
Intermediate Similarity 0.7883 NPC475044
Intermediate Similarity 0.7881 NPC151530
Intermediate Similarity 0.7881 NPC157473
Intermediate Similarity 0.7881 NPC233320
Intermediate Similarity 0.7881 NPC194034
Intermediate Similarity 0.7874 NPC476332
Intermediate Similarity 0.7874 NPC473464
Intermediate Similarity 0.7868 NPC265335
Intermediate Similarity 0.7863 NPC470393
Intermediate Similarity 0.7863 NPC8302
Intermediate Similarity 0.7863 NPC128730
Intermediate Similarity 0.7857 NPC267064
Intermediate Similarity 0.7857 NPC218753
Intermediate Similarity 0.7857 NPC96423
Intermediate Similarity 0.7851 NPC474920
Intermediate Similarity 0.7845 NPC12870
Intermediate Similarity 0.7845 NPC24327
Intermediate Similarity 0.7842 NPC474599
Intermediate Similarity 0.784 NPC61779
Intermediate Similarity 0.784 NPC43435
Intermediate Similarity 0.784 NPC37858
Intermediate Similarity 0.784 NPC472593
Intermediate Similarity 0.7836 NPC34456
Intermediate Similarity 0.7836 NPC211164
Intermediate Similarity 0.7833 NPC141068
Intermediate Similarity 0.7829 NPC280767
Intermediate Similarity 0.7829 NPC131397
Intermediate Similarity 0.7829 NPC476254
Intermediate Similarity 0.7826 NPC107101
Intermediate Similarity 0.7823 NPC471503
Intermediate Similarity 0.7823 NPC471498
Intermediate Similarity 0.782 NPC269421
Intermediate Similarity 0.7815 NPC241549
Intermediate Similarity 0.781 NPC475012
Intermediate Similarity 0.7803 NPC109778
Intermediate Similarity 0.7797 NPC1065
Intermediate Similarity 0.7787 NPC303522
Intermediate Similarity 0.7786 NPC81261
Intermediate Similarity 0.7786 NPC2401
Intermediate Similarity 0.7778 NPC61499
Intermediate Similarity 0.7778 NPC298900
Intermediate Similarity 0.7769 NPC245552
Intermediate Similarity 0.7761 NPC470871
Intermediate Similarity 0.776 NPC293424
Intermediate Similarity 0.776 NPC101503
Intermediate Similarity 0.776 NPC283616
Intermediate Similarity 0.7759 NPC307425
Intermediate Similarity 0.7759 NPC51633
Intermediate Similarity 0.7754 NPC155552
Intermediate Similarity 0.7752 NPC140521
Intermediate Similarity 0.7752 NPC111088
Intermediate Similarity 0.7752 NPC270030
Intermediate Similarity 0.7744 NPC258073
Intermediate Similarity 0.7742 NPC128633
Intermediate Similarity 0.7742 NPC154256
Intermediate Similarity 0.7742 NPC290470
Intermediate Similarity 0.7739 NPC471576
Intermediate Similarity 0.7734 NPC311219
Intermediate Similarity 0.7734 NPC302211
Intermediate Similarity 0.7734 NPC132518
Intermediate Similarity 0.7734 NPC477151
Intermediate Similarity 0.7734 NPC188997
Intermediate Similarity 0.7734 NPC325301
Intermediate Similarity 0.7727 NPC474289
Intermediate Similarity 0.7727 NPC241354
Intermediate Similarity 0.7727 NPC238309
Intermediate Similarity 0.7724 NPC161696
Intermediate Similarity 0.7724 NPC114144
Intermediate Similarity 0.7717 NPC180006
Intermediate Similarity 0.7717 NPC235190
Intermediate Similarity 0.7717 NPC163200
Intermediate Similarity 0.7717 NPC475529
Intermediate Similarity 0.7712 NPC139891
Intermediate Similarity 0.771 NPC258567
Intermediate Similarity 0.771 NPC224774
Intermediate Similarity 0.771 NPC281020
Intermediate Similarity 0.771 NPC121740
Intermediate Similarity 0.7705 NPC199462
Intermediate Similarity 0.7705 NPC98372
Intermediate Similarity 0.7704 NPC27394
Intermediate Similarity 0.7698 NPC164599
Intermediate Similarity 0.7698 NPC281356
Intermediate Similarity 0.7698 NPC184302
Intermediate Similarity 0.7692 NPC305205
Intermediate Similarity 0.7692 NPC173608
Intermediate Similarity 0.7692 NPC249836
Intermediate Similarity 0.7692 NPC179686
Intermediate Similarity 0.7692 NPC192596
Intermediate Similarity 0.7692 NPC165556
Intermediate Similarity 0.7692 NPC252962
Intermediate Similarity 0.7681 NPC79372
Intermediate Similarity 0.768 NPC217423
Intermediate Similarity 0.768 NPC45104
Intermediate Similarity 0.7676 NPC286038
Intermediate Similarity 0.7674 NPC279379
Intermediate Similarity 0.7674 NPC261992
Intermediate Similarity 0.7674 NPC248786
Intermediate Similarity 0.7669 NPC325003
Intermediate Similarity 0.7669 NPC327457
Intermediate Similarity 0.7669 NPC86774
Intermediate Similarity 0.7669 NPC475880
Intermediate Similarity 0.7669 NPC473271
Intermediate Similarity 0.7669 NPC196193
Intermediate Similarity 0.7664 NPC131198
Intermediate Similarity 0.7661 NPC473718
Intermediate Similarity 0.7661 NPC301321
Intermediate Similarity 0.7661 NPC220540
Intermediate Similarity 0.766 NPC260152
Intermediate Similarity 0.7656 NPC177291
Intermediate Similarity 0.7656 NPC194416
Intermediate Similarity 0.7656 NPC52247
Intermediate Similarity 0.7652 NPC469453
Intermediate Similarity 0.7652 NPC223912
Intermediate Similarity 0.7652 NPC95755
Intermediate Similarity 0.7652 NPC2596
Intermediate Similarity 0.7652 NPC185066
Intermediate Similarity 0.7647 NPC30416
Intermediate Similarity 0.7647 NPC326447
Intermediate Similarity 0.7643 NPC96692
Intermediate Similarity 0.7639 NPC146014
Intermediate Similarity 0.7638 NPC230951
Intermediate Similarity 0.7634 NPC101894

Drug Structure

External Identifiers

TTD   DAP000210
DrugBank   DB01241
ChEMBL   CHEMBL457
IUPHAR/BPS   3439
PharmaGKB   PA449750
KEGG Drug   D00334
PubChem CID   3463
ChEBI   5296
CAS Number  25812-30-0

Drug Properties

Molecular Weight  250.16
ALogP  1.5903
MLogP  2.78
XLogP  3.748
HDA  2
HBD  1
Rotatable Bonds  11
TPSA  46.53
RO5 Violation  0