Drug Information

Drug ID:  NPD7675
Drug Name:  Zosuquidar
Molecular Formula:  C32H31F2N3O2
Canonical SMILES:  O[C@H](CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3c1cccc3)C2(F)F)COc1cccc2c1cccn2
Standard InCHI:  InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
Standard InCHIKey:  IHOVFYSQUDPMCN-DBEBIPAYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7675

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 0.7907 NPC469589
Intermediate Similarity 0.7887 NPC476581
Intermediate Similarity 0.7887 NPC16452
Intermediate Similarity 0.7887 NPC36229
Intermediate Similarity 0.788 NPC112206
Intermediate Similarity 0.788 NPC202605
Intermediate Similarity 0.7876 NPC201508
Intermediate Similarity 0.787 NPC290689
Intermediate Similarity 0.7807 NPC255800
Intermediate Similarity 0.7807 NPC96584
Intermediate Similarity 0.7804 NPC47059
Intermediate Similarity 0.7804 NPC264166
Intermediate Similarity 0.7804 NPC274291
Intermediate Similarity 0.7804 NPC329708
Intermediate Similarity 0.7804 NPC118832
Intermediate Similarity 0.7804 NPC165349
Intermediate Similarity 0.7746 NPC31930
Intermediate Similarity 0.7685 NPC472111
Intermediate Similarity 0.7682 NPC469592
Intermediate Similarity 0.7682 NPC471080
Intermediate Similarity 0.7653 NPC476582
Intermediate Similarity 0.7653 NPC4071
Intermediate Similarity 0.7653 NPC476578
Intermediate Similarity 0.7636 NPC53069
Intermediate Similarity 0.7636 NPC202768
Intermediate Similarity 0.7636 NPC296482
Intermediate Similarity 0.7626 NPC167860
Intermediate Similarity 0.7626 NPC123976
Intermediate Similarity 0.7607 NPC99891
Intermediate Similarity 0.7589 NPC193267
Intermediate Similarity 0.7589 NPC213530
Intermediate Similarity 0.7558 NPC285558
Intermediate Similarity 0.7557 NPC171409
Intermediate Similarity 0.7557 NPC96405
Intermediate Similarity 0.7545 NPC469594
Intermediate Similarity 0.7534 NPC470931
Intermediate Similarity 0.7511 NPC110151
Intermediate Similarity 0.7511 NPC295228
Intermediate Similarity 0.75 NPC174672
Intermediate Similarity 0.7478 NPC314954
Intermediate Similarity 0.7467 NPC473822
Intermediate Similarity 0.7455 NPC475910
Intermediate Similarity 0.7454 NPC11017
Intermediate Similarity 0.7453 NPC195268
Intermediate Similarity 0.7453 NPC133140
Intermediate Similarity 0.7409 NPC313189
Intermediate Similarity 0.7399 NPC264176
Intermediate Similarity 0.7389 NPC23614
Intermediate Similarity 0.7389 NPC100079
Intermediate Similarity 0.7389 NPC173080
Intermediate Similarity 0.7373 NPC234197
Intermediate Similarity 0.7368 NPC310118
Intermediate Similarity 0.7352 NPC475774
Intermediate Similarity 0.7342 NPC174758
Intermediate Similarity 0.7339 NPC232727
Intermediate Similarity 0.7336 NPC118121
Intermediate Similarity 0.7333 NPC235076
Intermediate Similarity 0.733 NPC150048
Intermediate Similarity 0.733 NPC135549
Intermediate Similarity 0.733 NPC203754
Intermediate Similarity 0.7316 NPC214980
Intermediate Similarity 0.7315 NPC267928
Intermediate Similarity 0.7308 NPC469554
Intermediate Similarity 0.7294 NPC315957
Intermediate Similarity 0.7292 NPC472434
Intermediate Similarity 0.7281 NPC46451
Intermediate Similarity 0.7269 NPC473053
Intermediate Similarity 0.7261 NPC280272
Intermediate Similarity 0.7256 NPC289786
Intermediate Similarity 0.7253 NPC476997
Intermediate Similarity 0.7249 NPC128115
Intermediate Similarity 0.7248 NPC287437
Intermediate Similarity 0.7244 NPC251160
Intermediate Similarity 0.7232 NPC11464
Intermediate Similarity 0.7232 NPC5145
Intermediate Similarity 0.7225 NPC152768
Intermediate Similarity 0.7225 NPC148183
Intermediate Similarity 0.7225 NPC170114
Intermediate Similarity 0.7222 NPC476998
Intermediate Similarity 0.7222 NPC476996
Intermediate Similarity 0.7215 NPC329747
Intermediate Similarity 0.7215 NPC477019
Intermediate Similarity 0.7212 NPC149471
Intermediate Similarity 0.7212 NPC162530
Intermediate Similarity 0.7212 NPC283152
Intermediate Similarity 0.7212 NPC271215
Intermediate Similarity 0.7203 NPC329631
Intermediate Similarity 0.7193 NPC473513
Intermediate Similarity 0.719 NPC219963
Intermediate Similarity 0.7189 NPC13880
Intermediate Similarity 0.7186 NPC122463
Intermediate Similarity 0.7181 NPC470549
Intermediate Similarity 0.7179 NPC476994
Intermediate Similarity 0.7176 NPC279401
Intermediate Similarity 0.7176 NPC79293
Intermediate Similarity 0.7174 NPC477533
Intermediate Similarity 0.7164 NPC26850
Intermediate Similarity 0.7162 NPC204446
Intermediate Similarity 0.7161 NPC101543
Intermediate Similarity 0.7157 NPC471178
Intermediate Similarity 0.7156 NPC188420
Intermediate Similarity 0.7155 NPC322482
Intermediate Similarity 0.7149 NPC288349
Intermediate Similarity 0.7149 NPC274982
Intermediate Similarity 0.7149 NPC469792
Intermediate Similarity 0.7143 NPC177404
Intermediate Similarity 0.7143 NPC287208
Intermediate Similarity 0.7136 NPC19872
Intermediate Similarity 0.713 NPC141915
Intermediate Similarity 0.713 NPC114335
Intermediate Similarity 0.713 NPC280964
Intermediate Similarity 0.713 NPC17565
Intermediate Similarity 0.713 NPC323345
Intermediate Similarity 0.713 NPC476106
Intermediate Similarity 0.713 NPC470164
Intermediate Similarity 0.7124 NPC208284
Intermediate Similarity 0.7119 NPC475253
Intermediate Similarity 0.7117 NPC469440
Intermediate Similarity 0.7117 NPC200836
Intermediate Similarity 0.7104 NPC267423
Intermediate Similarity 0.71 NPC174049
Intermediate Similarity 0.7093 NPC26679
Intermediate Similarity 0.7093 NPC472098
Intermediate Similarity 0.7085 NPC470500
Intermediate Similarity 0.7085 NPC137929
Intermediate Similarity 0.7085 NPC164374
Intermediate Similarity 0.7083 NPC474183
Intermediate Similarity 0.7082 NPC65277
Intermediate Similarity 0.708 NPC470020
Intermediate Similarity 0.7078 NPC224928
Intermediate Similarity 0.7067 NPC82548
Intermediate Similarity 0.7059 NPC471177
Intermediate Similarity 0.7059 NPC176538
Intermediate Similarity 0.7059 NPC121772
Intermediate Similarity 0.7059 NPC59779
Intermediate Similarity 0.7059 NPC124542
Intermediate Similarity 0.7056 NPC472435
Intermediate Similarity 0.7054 NPC477861
Intermediate Similarity 0.7046 NPC476999
Intermediate Similarity 0.7045 NPC72211
Intermediate Similarity 0.7042 NPC184680
Intermediate Similarity 0.7042 NPC476995
Intermediate Similarity 0.704 NPC476138
Intermediate Similarity 0.704 NPC245816
Intermediate Similarity 0.7037 NPC75179
Intermediate Similarity 0.7032 NPC251090
Intermediate Similarity 0.7028 NPC470474
Intermediate Similarity 0.7028 NPC266551
Intermediate Similarity 0.7028 NPC118776
Intermediate Similarity 0.7028 NPC161887
Intermediate Similarity 0.7019 NPC14651
Intermediate Similarity 0.7019 NPC121658
Intermediate Similarity 0.7018 NPC226202
Intermediate Similarity 0.7018 NPC307963
Intermediate Similarity 0.7018 NPC316981
Intermediate Similarity 0.7015 NPC26872
Intermediate Similarity 0.7012 NPC470785
Intermediate Similarity 0.7012 NPC470784
Intermediate Similarity 0.7009 NPC20249
Intermediate Similarity 0.7005 NPC469390
Intermediate Similarity 0.7 NPC288943
Intermediate Similarity 0.7 NPC477110
Remote Similarity 0.6996 NPC60621
Remote Similarity 0.6996 NPC475112
Remote Similarity 0.6996 NPC291535
Remote Similarity 0.6996 NPC477532
Remote Similarity 0.6996 NPC475085
Remote Similarity 0.6996 NPC132385
Remote Similarity 0.6992 NPC473185
Remote Similarity 0.6992 NPC270515
Remote Similarity 0.6991 NPC110741
Remote Similarity 0.6987 NPC476287
Remote Similarity 0.6987 NPC266931
Remote Similarity 0.6982 NPC249040
Remote Similarity 0.6982 NPC329793
Remote Similarity 0.698 NPC478010
Remote Similarity 0.6979 NPC21638
Remote Similarity 0.6978 NPC474145
Remote Similarity 0.6978 NPC475841
Remote Similarity 0.6972 NPC472436
Remote Similarity 0.6971 NPC476518
Remote Similarity 0.6971 NPC473183
Remote Similarity 0.697 NPC476041
Remote Similarity 0.697 NPC304926
Remote Similarity 0.6964 NPC53144
Remote Similarity 0.6963 NPC62069
Remote Similarity 0.6963 NPC284559
Remote Similarity 0.6962 NPC253580
Remote Similarity 0.6962 NPC252251
Remote Similarity 0.696 NPC185782
Remote Similarity 0.6958 NPC473184
Remote Similarity 0.6955 NPC81175
Remote Similarity 0.6955 NPC70259
Remote Similarity 0.6953 NPC472099
Remote Similarity 0.6952 NPC312872
Remote Similarity 0.6951 NPC470586
Remote Similarity 0.6934 NPC133261
Remote Similarity 0.6933 NPC475070
Remote Similarity 0.693 NPC62510
Remote Similarity 0.6927 NPC92111

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  527.24
ALogP  -0.1962
MLogP  4.21
XLogP  7.353
HDA  4
HBD  1
Rotatable Bonds  9
TPSA  48.83
RO5 Violation  1