Drug Information

Drug ID:  NPD6641
Drug Name:  Cerivastatin Sodium
Molecular Formula:  C26H34FNO5.Na
Canonical SMILES:  COCc1c(c2ccc(cc2)F)c(/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)c(nc1C(C)C)C(C)C.[Na+]
Standard InCHI:  InChI=1S/C26H34FNO5.Na/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4;/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32);/q;+1/p-1/b11-10+;/t19-,20-;/m1./s1
Standard InCHIKey:  GPUADMRJQVPIAS-QCVDVZFFSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6641

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
Intermediate Similarity 0.8297 NPC102008
Intermediate Similarity 0.8198 NPC191310
Intermediate Similarity 0.7933 NPC320394
Intermediate Similarity 0.7732 NPC314834
Intermediate Similarity 0.7708 NPC315638
Intermediate Similarity 0.7708 NPC314855
Intermediate Similarity 0.7708 NPC313796
Intermediate Similarity 0.7708 NPC313345
Intermediate Similarity 0.7697 NPC84347
Intermediate Similarity 0.7696 NPC317572
Intermediate Similarity 0.7668 NPC315545
Intermediate Similarity 0.7668 NPC314297
Intermediate Similarity 0.7565 NPC314648
Intermediate Similarity 0.7487 NPC280714
Intermediate Similarity 0.7459 NPC194040
Intermediate Similarity 0.7456 NPC161292
Intermediate Similarity 0.7387 NPC292517
Intermediate Similarity 0.7363 NPC30570
Intermediate Similarity 0.7351 NPC207851
Intermediate Similarity 0.7337 NPC471598
Intermediate Similarity 0.7283 NPC153769
Intermediate Similarity 0.7268 NPC283152
Intermediate Similarity 0.7263 NPC55493
Intermediate Similarity 0.7258 NPC62069
Intermediate Similarity 0.7234 NPC472323
Intermediate Similarity 0.7216 NPC241024
Intermediate Similarity 0.7196 NPC175474
Intermediate Similarity 0.716 NPC245657
Intermediate Similarity 0.7157 NPC162812
Intermediate Similarity 0.7157 NPC312645
Intermediate Similarity 0.715 NPC472752
Intermediate Similarity 0.7135 NPC279401
Intermediate Similarity 0.7135 NPC79293
Intermediate Similarity 0.7129 NPC476467
Intermediate Similarity 0.712 NPC134586
Intermediate Similarity 0.7105 NPC44354
Intermediate Similarity 0.7101 NPC280853
Intermediate Similarity 0.7097 NPC15840
Intermediate Similarity 0.7094 NPC89508
Intermediate Similarity 0.7092 NPC312870
Intermediate Similarity 0.7092 NPC199851
Intermediate Similarity 0.7092 NPC254240
Intermediate Similarity 0.7092 NPC294909
Intermediate Similarity 0.7092 NPC128265
Intermediate Similarity 0.7081 NPC211997
Intermediate Similarity 0.7081 NPC473850
Intermediate Similarity 0.7065 NPC303225
Intermediate Similarity 0.7062 NPC33949
Intermediate Similarity 0.7059 NPC285016
Intermediate Similarity 0.7056 NPC155792
Intermediate Similarity 0.705 NPC474905
Intermediate Similarity 0.7049 NPC249614
Intermediate Similarity 0.7049 NPC158129
Intermediate Similarity 0.7048 NPC473506
Intermediate Similarity 0.7042 NPC475720
Intermediate Similarity 0.7042 NPC474192
Intermediate Similarity 0.7041 NPC471594
Intermediate Similarity 0.7041 NPC471596
Intermediate Similarity 0.7039 NPC82070
Intermediate Similarity 0.7039 NPC322644
Intermediate Similarity 0.7039 NPC314270
Intermediate Similarity 0.7033 NPC57797
Intermediate Similarity 0.7033 NPC250807
Intermediate Similarity 0.7031 NPC469390
Intermediate Similarity 0.7027 NPC194724
Intermediate Similarity 0.7016 NPC183805
Intermediate Similarity 0.7015 NPC63041
Intermediate Similarity 0.7014 NPC477787
Intermediate Similarity 0.7014 NPC228377
Intermediate Similarity 0.7014 NPC124029
Intermediate Similarity 0.7014 NPC211920
Intermediate Similarity 0.7014 NPC328186
Intermediate Similarity 0.7014 NPC122968
Intermediate Similarity 0.701 NPC317752
Intermediate Similarity 0.7009 NPC473105
Intermediate Similarity 0.7005 NPC214428
Intermediate Similarity 0.7005 NPC81654
Intermediate Similarity 0.7005 NPC253482
Intermediate Similarity 0.7005 NPC79129
Intermediate Similarity 0.7005 NPC249150
Intermediate Similarity 0.7005 NPC52254
Intermediate Similarity 0.7005 NPC195461
Intermediate Similarity 0.7005 NPC313985
Intermediate Similarity 0.7005 NPC49196
Intermediate Similarity 0.7 NPC475137
Intermediate Similarity 0.7 NPC90415
Intermediate Similarity 0.7 NPC233727
Intermediate Similarity 0.7 NPC475498
Remote Similarity 0.6995 NPC471546
Remote Similarity 0.699 NPC52557
Remote Similarity 0.6989 NPC326575
Remote Similarity 0.6985 NPC165599
Remote Similarity 0.6981 NPC475362
Remote Similarity 0.6981 NPC471190
Remote Similarity 0.6981 NPC475644
Remote Similarity 0.6981 NPC470486
Remote Similarity 0.6981 NPC471977
Remote Similarity 0.698 NPC48042
Remote Similarity 0.698 NPC304179
Remote Similarity 0.698 NPC472550
Remote Similarity 0.6977 NPC35208
Remote Similarity 0.6971 NPC469439
Remote Similarity 0.6965 NPC475835
Remote Similarity 0.6965 NPC193238
Remote Similarity 0.6961 NPC244856
Remote Similarity 0.6961 NPC318299
Remote Similarity 0.6957 NPC187494
Remote Similarity 0.6954 NPC123395
Remote Similarity 0.6952 NPC76565
Remote Similarity 0.695 NPC137929
Remote Similarity 0.695 NPC164374
Remote Similarity 0.6949 NPC26872
Remote Similarity 0.6947 NPC79062
Remote Similarity 0.6947 NPC472107
Remote Similarity 0.6946 NPC234999
Remote Similarity 0.6942 NPC476114
Remote Similarity 0.6942 NPC477907
Remote Similarity 0.6942 NPC42678
Remote Similarity 0.6942 NPC477909
Remote Similarity 0.6935 NPC288943
Remote Similarity 0.6935 NPC24594
Remote Similarity 0.6935 NPC472122
Remote Similarity 0.6934 NPC475631
Remote Similarity 0.6934 NPC475600
Remote Similarity 0.6934 NPC476110
Remote Similarity 0.6934 NPC87152
Remote Similarity 0.6934 NPC146824
Remote Similarity 0.693 NPC237702
Remote Similarity 0.6927 NPC116573
Remote Similarity 0.6927 NPC61435
Remote Similarity 0.6923 NPC216428
Remote Similarity 0.6923 NPC474121
Remote Similarity 0.6919 NPC477902
Remote Similarity 0.6919 NPC21638
Remote Similarity 0.6916 NPC473689
Remote Similarity 0.6916 NPC96801
Remote Similarity 0.6916 NPC292416
Remote Similarity 0.6916 NPC316841
Remote Similarity 0.6916 NPC477906
Remote Similarity 0.6916 NPC150698
Remote Similarity 0.6915 NPC18661
Remote Similarity 0.6915 NPC277350
Remote Similarity 0.6915 NPC238457
Remote Similarity 0.6911 NPC160381
Remote Similarity 0.6909 NPC475648
Remote Similarity 0.6908 NPC471014
Remote Similarity 0.6908 NPC475408
Remote Similarity 0.6907 NPC280964
Remote Similarity 0.6907 NPC141915
Remote Similarity 0.6907 NPC114335
Remote Similarity 0.6905 NPC477788
Remote Similarity 0.6904 NPC50503
Remote Similarity 0.69 NPC476115
Remote Similarity 0.6898 NPC475426
Remote Similarity 0.6895 NPC470003
Remote Similarity 0.6893 NPC274842
Remote Similarity 0.6888 NPC245916
Remote Similarity 0.6884 NPC244839
Remote Similarity 0.6884 NPC319880
Remote Similarity 0.6884 NPC320324
Remote Similarity 0.6884 NPC30456
Remote Similarity 0.6881 NPC244741
Remote Similarity 0.6878 NPC472553
Remote Similarity 0.6878 NPC71037
Remote Similarity 0.6878 NPC113626
Remote Similarity 0.6878 NPC111732
Remote Similarity 0.6875 NPC144779
Remote Similarity 0.6875 NPC62367
Remote Similarity 0.6875 NPC294579
Remote Similarity 0.6872 NPC475271
Remote Similarity 0.6872 NPC230403
Remote Similarity 0.6872 NPC45850
Remote Similarity 0.6866 NPC57453
Remote Similarity 0.686 NPC74969
Remote Similarity 0.686 NPC477910
Remote Similarity 0.686 NPC62844
Remote Similarity 0.686 NPC193361
Remote Similarity 0.686 NPC470306
Remote Similarity 0.6859 NPC62510
Remote Similarity 0.6856 NPC472097
Remote Similarity 0.6856 NPC129909
Remote Similarity 0.6854 NPC475601
Remote Similarity 0.6849 NPC475816
Remote Similarity 0.6848 NPC470894
Remote Similarity 0.6847 NPC470190
Remote Similarity 0.6847 NPC470280
Remote Similarity 0.6845 NPC236424
Remote Similarity 0.6845 NPC306644
Remote Similarity 0.6842 NPC472104
Remote Similarity 0.6842 NPC84815
Remote Similarity 0.6842 NPC243058
Remote Similarity 0.6842 NPC301368
Remote Similarity 0.6842 NPC472444
Remote Similarity 0.684 NPC328154
Remote Similarity 0.684 NPC473449
Remote Similarity 0.6839 NPC111602
Remote Similarity 0.6839 NPC471323
Remote Similarity 0.6839 NPC102338
Remote Similarity 0.6839 NPC63199
Remote Similarity 0.6839 NPC196251

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  458.23
ALogP  -0.1391
MLogP  3.55
XLogP  3.931
HDA  6
HBD  2
Rotatable Bonds  20
TPSA  102.71
RO5 Violation  1