Drug Information

Drug ID:  NPD6295
Drug Name:  Quinapril
Molecular Formula:  C25H30N2O5
Canonical SMILES:  CCOC(=O)[C@@H](N[C@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C)CCc1ccccc1
Standard InCHI:  InChI=1S/C25H30N2O5/c1-3-32-25(31)21(14-13-18-9-5-4-6-10-18)26-17(2)23(28)27-16-20-12-8-7-11-19(20)15-22(27)24(29)30/h4-12,17,21-22,26H,3,13-16H2,1-2H3,(H,29,30)/t17-,21-,22-/m0/s1
Standard InCHIKey:  JSDRRTOADPPCHY-HSQYWUDLSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6295

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 0.7852 NPC71684
Intermediate Similarity 0.7826 NPC136453
Intermediate Similarity 0.7778 NPC132636
Intermediate Similarity 0.777 NPC105114
Intermediate Similarity 0.777 NPC89923
Intermediate Similarity 0.777 NPC71933
Intermediate Similarity 0.777 NPC239990
Intermediate Similarity 0.777 NPC152850
Intermediate Similarity 0.7619 NPC161069
Intermediate Similarity 0.7606 NPC157311
Intermediate Similarity 0.7578 NPC67043
Intermediate Similarity 0.7578 NPC473418
Intermediate Similarity 0.7564 NPC471527
Intermediate Similarity 0.7552 NPC44805
Intermediate Similarity 0.7552 NPC8761
Intermediate Similarity 0.7517 NPC209509
Intermediate Similarity 0.7516 NPC473341
Intermediate Similarity 0.7483 NPC163392
Intermediate Similarity 0.7483 NPC239762
Intermediate Similarity 0.7466 NPC127741
Intermediate Similarity 0.7465 NPC111428
Intermediate Similarity 0.7448 NPC474473
Intermediate Similarity 0.7426 NPC470545
Intermediate Similarity 0.7417 NPC138775
Intermediate Similarity 0.7372 NPC470546
Intermediate Similarity 0.7353 NPC470544
Intermediate Similarity 0.7343 NPC473322
Intermediate Similarity 0.7324 NPC477937
Intermediate Similarity 0.7315 NPC263493
Intermediate Similarity 0.7315 NPC269398
Intermediate Similarity 0.7305 NPC222466
Intermediate Similarity 0.7293 NPC319579
Intermediate Similarity 0.729 NPC122590
Intermediate Similarity 0.7278 NPC62104
Intermediate Similarity 0.7278 NPC1390
Intermediate Similarity 0.7267 NPC139326
Intermediate Similarity 0.7255 NPC105717
Intermediate Similarity 0.7254 NPC101719
Intermediate Similarity 0.7237 NPC314114
Intermediate Similarity 0.7237 NPC262077
Intermediate Similarity 0.7234 NPC35996
Intermediate Similarity 0.723 NPC68865
Intermediate Similarity 0.7214 NPC314192
Intermediate Similarity 0.7197 NPC469903
Intermediate Similarity 0.7192 NPC257390
Intermediate Similarity 0.7188 NPC73644
Intermediate Similarity 0.7181 NPC476133
Intermediate Similarity 0.7181 NPC77992
Intermediate Similarity 0.7181 NPC92784
Intermediate Similarity 0.7181 NPC98424
Intermediate Similarity 0.7181 NPC178662
Intermediate Similarity 0.7181 NPC470884
Intermediate Similarity 0.7176 NPC476198
Intermediate Similarity 0.7171 NPC5620
Intermediate Similarity 0.7171 NPC315266
Intermediate Similarity 0.7153 NPC197470
Intermediate Similarity 0.7143 NPC471052
Intermediate Similarity 0.7143 NPC471053
Intermediate Similarity 0.7143 NPC471051
Intermediate Similarity 0.7123 NPC255447
Intermediate Similarity 0.7114 NPC471264
Intermediate Similarity 0.7114 NPC478140
Intermediate Similarity 0.7114 NPC471265
Intermediate Similarity 0.7109 NPC322598
Intermediate Similarity 0.7105 NPC52748
Intermediate Similarity 0.7105 NPC476978
Intermediate Similarity 0.7099 NPC210377
Intermediate Similarity 0.7099 NPC5719
Intermediate Similarity 0.7099 NPC22883
Intermediate Similarity 0.7099 NPC217804
Intermediate Similarity 0.7097 NPC2501
Intermediate Similarity 0.708 NPC33742
Intermediate Similarity 0.7075 NPC246079
Intermediate Similarity 0.7075 NPC246913
Intermediate Similarity 0.707 NPC286551
Intermediate Similarity 0.7063 NPC22746
Intermediate Similarity 0.7059 NPC474584
Intermediate Similarity 0.7055 NPC15068
Intermediate Similarity 0.7051 NPC7817
Intermediate Similarity 0.7051 NPC475168
Intermediate Similarity 0.7048 NPC285622
Intermediate Similarity 0.7048 NPC306804
Intermediate Similarity 0.7039 NPC468984
Intermediate Similarity 0.7039 NPC197682
Intermediate Similarity 0.7032 NPC471820
Intermediate Similarity 0.7032 NPC471821
Intermediate Similarity 0.7031 NPC10781
Intermediate Similarity 0.7031 NPC122493
Intermediate Similarity 0.7031 NPC293628
Intermediate Similarity 0.7031 NPC324569
Intermediate Similarity 0.7021 NPC302169
Intermediate Similarity 0.702 NPC46098
Intermediate Similarity 0.702 NPC268841
Intermediate Similarity 0.702 NPC307357
Intermediate Similarity 0.7019 NPC469902
Intermediate Similarity 0.7014 NPC474847
Intermediate Similarity 0.7014 NPC4974
Intermediate Similarity 0.7012 NPC63040
Intermediate Similarity 0.7007 NPC276949
Intermediate Similarity 0.7007 NPC35850
Intermediate Similarity 0.7 NPC220698
Remote Similarity 0.6993 NPC314388
Remote Similarity 0.6993 NPC315283
Remote Similarity 0.6993 NPC6975
Remote Similarity 0.6987 NPC129666
Remote Similarity 0.6986 NPC469666
Remote Similarity 0.6974 NPC469426
Remote Similarity 0.6974 NPC469427
Remote Similarity 0.6974 NPC168113
Remote Similarity 0.6968 NPC145113
Remote Similarity 0.6968 NPC225648
Remote Similarity 0.6968 NPC135121
Remote Similarity 0.6968 NPC329761
Remote Similarity 0.6954 NPC287358
Remote Similarity 0.6951 NPC304074
Remote Similarity 0.6951 NPC471771
Remote Similarity 0.6951 NPC290755
Remote Similarity 0.6948 NPC316008
Remote Similarity 0.6948 NPC201244
Remote Similarity 0.6948 NPC477217
Remote Similarity 0.6948 NPC313867
Remote Similarity 0.6939 NPC69496
Remote Similarity 0.6929 NPC169328
Remote Similarity 0.6928 NPC176226
Remote Similarity 0.6928 NPC57976
Remote Similarity 0.6923 NPC213126
Remote Similarity 0.6923 NPC169485
Remote Similarity 0.6923 NPC84281
Remote Similarity 0.6923 NPC317474
Remote Similarity 0.6923 NPC291027
Remote Similarity 0.6918 NPC470902
Remote Similarity 0.6914 NPC469243
Remote Similarity 0.6914 NPC475544
Remote Similarity 0.6913 NPC245836
Remote Similarity 0.6913 NPC233910
Remote Similarity 0.6903 NPC314358
Remote Similarity 0.6901 NPC200964
Remote Similarity 0.6894 NPC297145
Remote Similarity 0.6894 NPC324850
Remote Similarity 0.6894 NPC164859
Remote Similarity 0.6894 NPC197743
Remote Similarity 0.689 NPC189116
Remote Similarity 0.689 NPC223207
Remote Similarity 0.6882 NPC269750
Remote Similarity 0.6882 NPC194671
Remote Similarity 0.6879 NPC314992
Remote Similarity 0.6879 NPC310467
Remote Similarity 0.6867 NPC248283
Remote Similarity 0.6867 NPC469904
Remote Similarity 0.6866 NPC327481
Remote Similarity 0.6864 NPC475427
Remote Similarity 0.6861 NPC329011
Remote Similarity 0.6857 NPC14672
Remote Similarity 0.6857 NPC285926
Remote Similarity 0.6857 NPC315276
Remote Similarity 0.6857 NPC239357
Remote Similarity 0.6853 NPC202521
Remote Similarity 0.6845 NPC137627
Remote Similarity 0.6845 NPC273755
Remote Similarity 0.6838 NPC158854
Remote Similarity 0.6826 NPC46009
Remote Similarity 0.6824 NPC200589
Remote Similarity 0.6821 NPC314835
Remote Similarity 0.6818 NPC240130
Remote Similarity 0.6818 NPC61332
Remote Similarity 0.681 NPC473003
Remote Similarity 0.6807 NPC107938
Remote Similarity 0.6807 NPC294516
Remote Similarity 0.6805 NPC159767
Remote Similarity 0.6805 NPC155506
Remote Similarity 0.6805 NPC476227
Remote Similarity 0.6805 NPC279871
Remote Similarity 0.6803 NPC210950
Remote Similarity 0.6803 NPC319766
Remote Similarity 0.6803 NPC199738
Remote Similarity 0.6797 NPC476259
Remote Similarity 0.679 NPC63370
Remote Similarity 0.679 NPC36836
Remote Similarity 0.6788 NPC63931
Remote Similarity 0.6786 NPC101139
Remote Similarity 0.6783 NPC476990
Remote Similarity 0.6783 NPC80150
Remote Similarity 0.6779 NPC130309
Remote Similarity 0.6772 NPC13470
Remote Similarity 0.6765 NPC50016
Remote Similarity 0.6759 NPC474082
Remote Similarity 0.6759 NPC175726
Remote Similarity 0.6752 NPC311658
Remote Similarity 0.6744 NPC329430
Remote Similarity 0.6738 NPC2265
Remote Similarity 0.6735 NPC322433
Remote Similarity 0.6726 NPC40234
Remote Similarity 0.6723 NPC473298
Remote Similarity 0.6711 NPC151706
Remote Similarity 0.6711 NPC474811
Remote Similarity 0.6711 NPC90194
Remote Similarity 0.6711 NPC79465
Remote Similarity 0.6711 NPC76785
Remote Similarity 0.6711 NPC475318
Remote Similarity 0.6711 NPC49577

Drug Structure

External Identifiers

TTD   DAP000588
DrugBank   DB00881
ChEMBL   CHEMBL1592
IUPHAR/BPS   6350
PharmaGKB   PA451205
KEGG Drug   D03752
PubChem CID   54892
ChEBI   8713
CAS Number  85441-61-8

Drug Properties

Molecular Weight  438.22
ALogP  -1.605
MLogP  3.44
XLogP  6.38
HDA  7
HBD  2
Rotatable Bonds  14
TPSA  95.94
RO5 Violation  2