Drug Information

Drug ID:  NPD7886
Drug Name:  Biricodar
Molecular Formula:  C34H41N3O7
Canonical SMILES:  COc1cc(cc(c1OC)OC)C(=O)C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1cccnc1)CCCc1cccnc1
Standard InCHI:  InChI=1S/C34H41N3O7/c1-41-29-20-26(21-30(42-2)32(29)43-3)31(38)33(39)37-19-5-4-16-28(37)34(40)44-27(14-6-10-24-12-8-17-35-22-24)15-7-11-25-13-9-18-36-23-25/h8-9,12-13,17-18,20-23,27-28H,4-7,10-11,14-16,19H2,1-3H3/t28-/m0/s1
Standard InCHIKey:  CGVWPQOFHSAKRR-NDEPHWFRSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7886

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 0.8095 NPC90875
Intermediate Similarity 0.8063 NPC146976
Intermediate Similarity 0.8044 NPC54066
Intermediate Similarity 0.8018 NPC236668
Intermediate Similarity 0.8009 NPC233334
Intermediate Similarity 0.7953 NPC127085
Intermediate Similarity 0.7924 NPC119134
Intermediate Similarity 0.7922 NPC24019
Intermediate Similarity 0.7899 NPC124313
Intermediate Similarity 0.789 NPC84164
Intermediate Similarity 0.789 NPC207283
Intermediate Similarity 0.7857 NPC15406
Intermediate Similarity 0.7737 NPC183537
Intermediate Similarity 0.7733 NPC191489
Intermediate Similarity 0.7722 NPC189903
Intermediate Similarity 0.7722 NPC182907
Intermediate Similarity 0.7679 NPC108342
Intermediate Similarity 0.7664 NPC77878
Intermediate Similarity 0.7662 NPC210434
Intermediate Similarity 0.7658 NPC210256
Intermediate Similarity 0.7645 NPC107123
Intermediate Similarity 0.7627 NPC471004
Intermediate Similarity 0.7617 NPC91125
Intermediate Similarity 0.761 NPC88923
Intermediate Similarity 0.761 NPC100734
Intermediate Similarity 0.761 NPC315634
Intermediate Similarity 0.7597 NPC26881
Intermediate Similarity 0.7595 NPC22481
Intermediate Similarity 0.7542 NPC166722
Intermediate Similarity 0.7521 NPC477900
Intermediate Similarity 0.7521 NPC477899
Intermediate Similarity 0.7511 NPC235364
Intermediate Similarity 0.75 NPC477901
Intermediate Similarity 0.749 NPC253675
Intermediate Similarity 0.7479 NPC210296
Intermediate Similarity 0.7468 NPC278525
Intermediate Similarity 0.7449 NPC137353
Intermediate Similarity 0.7448 NPC96584
Intermediate Similarity 0.7448 NPC255800
Intermediate Similarity 0.7437 NPC201508
Intermediate Similarity 0.7437 NPC477906
Intermediate Similarity 0.7418 NPC316224
Intermediate Similarity 0.7412 NPC290689
Intermediate Similarity 0.741 NPC284685
Intermediate Similarity 0.74 NPC318068
Intermediate Similarity 0.7391 NPC328928
Intermediate Similarity 0.7371 NPC477908
Intermediate Similarity 0.7371 NPC206343
Intermediate Similarity 0.7345 NPC289086
Intermediate Similarity 0.7341 NPC129897
Intermediate Similarity 0.7336 NPC470020
Intermediate Similarity 0.7328 NPC207531
Intermediate Similarity 0.7328 NPC475315
Intermediate Similarity 0.7328 NPC324619
Intermediate Similarity 0.7319 NPC477903
Intermediate Similarity 0.7311 NPC186351
Intermediate Similarity 0.7308 NPC472555
Intermediate Similarity 0.7298 NPC270515
Intermediate Similarity 0.7292 NPC476999
Intermediate Similarity 0.7288 NPC477911
Intermediate Similarity 0.7288 NPC216612
Intermediate Similarity 0.7287 NPC473639
Intermediate Similarity 0.7287 NPC475533
Intermediate Similarity 0.7284 NPC4421
Intermediate Similarity 0.7284 NPC264674
Intermediate Similarity 0.7281 NPC193238
Intermediate Similarity 0.7277 NPC4071
Intermediate Similarity 0.7277 NPC476582
Intermediate Similarity 0.7277 NPC476578
Intermediate Similarity 0.7265 NPC314270
Intermediate Similarity 0.7265 NPC6576
Intermediate Similarity 0.7265 NPC473115
Intermediate Similarity 0.7265 NPC319556
Intermediate Similarity 0.7265 NPC212768
Intermediate Similarity 0.7265 NPC473089
Intermediate Similarity 0.7265 NPC75600
Intermediate Similarity 0.7265 NPC158020
Intermediate Similarity 0.7257 NPC322482
Intermediate Similarity 0.7253 NPC477909
Intermediate Similarity 0.7253 NPC42678
Intermediate Similarity 0.7253 NPC477907
Intermediate Similarity 0.7251 NPC471015
Intermediate Similarity 0.7247 NPC471013
Intermediate Similarity 0.7247 NPC180668
Intermediate Similarity 0.7247 NPC148896
Intermediate Similarity 0.7244 NPC473833
Intermediate Similarity 0.724 NPC133140
Intermediate Similarity 0.724 NPC195268
Intermediate Similarity 0.7238 NPC211920
Intermediate Similarity 0.7238 NPC124029
Intermediate Similarity 0.7222 NPC53255
Intermediate Similarity 0.7222 NPC85879
Intermediate Similarity 0.7222 NPC475301
Intermediate Similarity 0.7222 NPC326930
Intermediate Similarity 0.7216 NPC215837
Intermediate Similarity 0.7202 NPC327769
Intermediate Similarity 0.72 NPC10904
Intermediate Similarity 0.72 NPC134637
Intermediate Similarity 0.7194 NPC13603
Intermediate Similarity 0.7193 NPC36229
Intermediate Similarity 0.7193 NPC476581
Intermediate Similarity 0.7193 NPC16452
Intermediate Similarity 0.7191 NPC62367
Intermediate Similarity 0.719 NPC476429
Intermediate Similarity 0.7173 NPC477912
Intermediate Similarity 0.7166 NPC72905
Intermediate Similarity 0.7161 NPC301368
Intermediate Similarity 0.7161 NPC84815
Intermediate Similarity 0.7161 NPC216428
Intermediate Similarity 0.7155 NPC477902
Intermediate Similarity 0.7155 NPC328154
Intermediate Similarity 0.7149 NPC150698
Intermediate Similarity 0.7149 NPC96801
Intermediate Similarity 0.7143 NPC477788
Intermediate Similarity 0.7143 NPC127026
Intermediate Similarity 0.7143 NPC127720
Intermediate Similarity 0.7137 NPC188400
Intermediate Similarity 0.7137 NPC75179
Intermediate Similarity 0.7131 NPC170751
Intermediate Similarity 0.713 NPC313189
Intermediate Similarity 0.7126 NPC148889
Intermediate Similarity 0.7125 NPC148860
Intermediate Similarity 0.7125 NPC470018
Intermediate Similarity 0.7124 NPC111732
Intermediate Similarity 0.7124 NPC123395
Intermediate Similarity 0.7124 NPC318299
Intermediate Similarity 0.7119 NPC49547
Intermediate Similarity 0.7119 NPC473822
Intermediate Similarity 0.7118 NPC264166
Intermediate Similarity 0.7118 NPC274291
Intermediate Similarity 0.7118 NPC165349
Intermediate Similarity 0.7118 NPC118832
Intermediate Similarity 0.7118 NPC329708
Intermediate Similarity 0.7118 NPC47059
Intermediate Similarity 0.7113 NPC471980
Intermediate Similarity 0.7106 NPC30570
Intermediate Similarity 0.7104 NPC470042
Intermediate Similarity 0.7095 NPC475601
Intermediate Similarity 0.7095 NPC74575
Intermediate Similarity 0.7094 NPC317752
Intermediate Similarity 0.7089 NPC315804
Intermediate Similarity 0.7089 NPC313804
Intermediate Similarity 0.7078 NPC217176
Intermediate Similarity 0.7076 NPC6981
Intermediate Similarity 0.7076 NPC471016
Intermediate Similarity 0.7071 NPC122463
Intermediate Similarity 0.7069 NPC48042
Intermediate Similarity 0.7069 NPC472550
Intermediate Similarity 0.7069 NPC304179
Intermediate Similarity 0.7063 NPC203373
Intermediate Similarity 0.7061 NPC31930
Intermediate Similarity 0.7054 NPC471978
Intermediate Similarity 0.7054 NPC473506
Intermediate Similarity 0.7052 NPC1608
Intermediate Similarity 0.7051 NPC53069
Intermediate Similarity 0.7051 NPC202768
Intermediate Similarity 0.7051 NPC296482
Intermediate Similarity 0.7051 NPC472553
Intermediate Similarity 0.7046 NPC187494
Intermediate Similarity 0.7046 NPC294579
Intermediate Similarity 0.7046 NPC144779
Intermediate Similarity 0.7038 NPC471979
Intermediate Similarity 0.7034 NPC470306
Intermediate Similarity 0.7028 NPC166712
Intermediate Similarity 0.7027 NPC132385
Intermediate Similarity 0.7025 NPC122968
Intermediate Similarity 0.7025 NPC477787
Intermediate Similarity 0.7025 NPC87152
Intermediate Similarity 0.7025 NPC228377
Intermediate Similarity 0.7025 NPC475631
Intermediate Similarity 0.7025 NPC475600
Intermediate Similarity 0.7025 NPC476110
Intermediate Similarity 0.7025 NPC328186
Intermediate Similarity 0.7021 NPC165837
Intermediate Similarity 0.702 NPC172222
Intermediate Similarity 0.702 NPC472435
Intermediate Similarity 0.7018 NPC477019
Intermediate Similarity 0.7016 NPC253482
Intermediate Similarity 0.7012 NPC21638
Intermediate Similarity 0.7009 NPC40919
Intermediate Similarity 0.7009 NPC470189
Intermediate Similarity 0.7008 NPC316841
Intermediate Similarity 0.7008 NPC475303
Intermediate Similarity 0.7008 NPC475596
Intermediate Similarity 0.7004 NPC162812
Intermediate Similarity 0.7004 NPC475408
Intermediate Similarity 0.7004 NPC476995
Intermediate Similarity 0.7004 NPC472436
Intermediate Similarity 0.7004 NPC471014
Intermediate Similarity 0.7 NPC142385
Intermediate Similarity 0.7 NPC475648
Remote Similarity 0.6996 NPC471190
Remote Similarity 0.6996 NPC475644
Remote Similarity 0.6996 NPC470486
Remote Similarity 0.6996 NPC471977
Remote Similarity 0.6996 NPC246381
Remote Similarity 0.6996 NPC472752
Remote Similarity 0.6992 NPC34770
Remote Similarity 0.6992 NPC319128
Remote Similarity 0.6992 NPC228331

Drug Structure

External Identifiers

TTD   DAP001352
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   3037617
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  603.29
ALogP  -3.2322
MLogP  4.1
XLogP  4.9
HDA  7
HBD  0
Rotatable Bonds  20
TPSA  117.15
RO5 Violation  1