Drug Information

Drug ID:  NPD6964
Drug Name:  Cabozantinib
Molecular Formula:  C28H24FN3O5
Canonical SMILES:  COc1cc2c(ccnc2cc1OC)Oc1ccc(cc1)NC(=O)C1(CC1)C(=O)Nc1ccc(cc1)F
Standard InCHI:  InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)
Standard InCHIKey:  ONIQOQHATWINJY-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6964

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 0.788 NPC36229
Intermediate Similarity 0.788 NPC16452
Intermediate Similarity 0.788 NPC476581
Intermediate Similarity 0.7867 NPC195268
Intermediate Similarity 0.7867 NPC133140
Intermediate Similarity 0.7864 NPC290689
Intermediate Similarity 0.7814 NPC476582
Intermediate Similarity 0.7814 NPC4071
Intermediate Similarity 0.7814 NPC476578
Intermediate Similarity 0.7798 NPC285558
Intermediate Similarity 0.7758 NPC266931
Intermediate Similarity 0.7758 NPC162530
Intermediate Similarity 0.7742 NPC31930
Intermediate Similarity 0.7713 NPC316981
Intermediate Similarity 0.7696 NPC315957
Intermediate Similarity 0.7639 NPC201508
Intermediate Similarity 0.7635 NPC270515
Intermediate Similarity 0.7634 NPC53069
Intermediate Similarity 0.7634 NPC202605
Intermediate Similarity 0.7634 NPC202768
Intermediate Similarity 0.7634 NPC296482
Intermediate Similarity 0.7634 NPC112206
Intermediate Similarity 0.7621 NPC473822
Intermediate Similarity 0.7615 NPC234197
Intermediate Similarity 0.7568 NPC313189
Intermediate Similarity 0.7566 NPC235076
Intermediate Similarity 0.7545 NPC167860
Intermediate Similarity 0.7545 NPC123976
Intermediate Similarity 0.7545 NPC188420
Intermediate Similarity 0.7544 NPC23614
Intermediate Similarity 0.7544 NPC100079
Intermediate Similarity 0.7522 NPC236668
Intermediate Similarity 0.7522 NPC271215
Intermediate Similarity 0.7522 NPC149471
Intermediate Similarity 0.7521 NPC24019
Intermediate Similarity 0.7511 NPC295228
Intermediate Similarity 0.75 NPC56271
Intermediate Similarity 0.75 NPC96584
Intermediate Similarity 0.75 NPC255800
Intermediate Similarity 0.75 NPC473513
Intermediate Similarity 0.7489 NPC146976
Intermediate Similarity 0.7489 NPC122463
Intermediate Similarity 0.748 NPC132385
Intermediate Similarity 0.7478 NPC96405
Intermediate Similarity 0.7478 NPC251160
Intermediate Similarity 0.7478 NPC171409
Intermediate Similarity 0.7458 NPC99891
Intermediate Similarity 0.7455 NPC477019
Intermediate Similarity 0.7452 NPC312872
Intermediate Similarity 0.7435 NPC213530
Intermediate Similarity 0.7435 NPC46451
Intermediate Similarity 0.7435 NPC193267
Intermediate Similarity 0.7434 NPC208284
Intermediate Similarity 0.7422 NPC174758
Intermediate Similarity 0.7421 NPC232727
Intermediate Similarity 0.7415 NPC217176
Intermediate Similarity 0.7411 NPC135549
Intermediate Similarity 0.7409 NPC303374
Intermediate Similarity 0.7403 NPC174049
Intermediate Similarity 0.7391 NPC173080
Intermediate Similarity 0.7387 NPC199277
Intermediate Similarity 0.7387 NPC135887
Intermediate Similarity 0.7386 NPC119134
Intermediate Similarity 0.7378 NPC82548
Intermediate Similarity 0.7376 NPC176538
Intermediate Similarity 0.7361 NPC76748
Intermediate Similarity 0.7354 NPC162484
Intermediate Similarity 0.7339 NPC210434
Intermediate Similarity 0.7339 NPC118121
Intermediate Similarity 0.7339 NPC307963
Intermediate Similarity 0.7327 NPC92111
Intermediate Similarity 0.7325 NPC188400
Intermediate Similarity 0.7322 NPC90875
Intermediate Similarity 0.7322 NPC277351
Intermediate Similarity 0.732 NPC284685
Intermediate Similarity 0.7316 NPC204446
Intermediate Similarity 0.7315 NPC296527
Intermediate Similarity 0.7314 NPC217554
Intermediate Similarity 0.7313 NPC470020
Intermediate Similarity 0.7313 NPC471304
Intermediate Similarity 0.7311 NPC233334
Intermediate Similarity 0.7304 NPC170114
Intermediate Similarity 0.7302 NPC204385
Intermediate Similarity 0.7296 NPC60621
Intermediate Similarity 0.7295 NPC284141
Intermediate Similarity 0.7295 NPC78609
Intermediate Similarity 0.7292 NPC108342
Intermediate Similarity 0.7285 NPC127085
Intermediate Similarity 0.7284 NPC17565
Intermediate Similarity 0.7269 NPC174672
Intermediate Similarity 0.7265 NPC280272
Intermediate Similarity 0.7261 NPC470549
Intermediate Similarity 0.7261 NPC182907
Intermediate Similarity 0.7261 NPC189903
Intermediate Similarity 0.725 NPC253675
Intermediate Similarity 0.7247 NPC26543
Intermediate Similarity 0.7244 NPC47059
Intermediate Similarity 0.7244 NPC264166
Intermediate Similarity 0.7244 NPC274291
Intermediate Similarity 0.7244 NPC329708
Intermediate Similarity 0.7244 NPC118832
Intermediate Similarity 0.7244 NPC165349
Intermediate Similarity 0.7241 NPC473041
Intermediate Similarity 0.7241 NPC96321
Intermediate Similarity 0.7238 NPC49547
Intermediate Similarity 0.7238 NPC469554
Intermediate Similarity 0.7234 NPC122436
Intermediate Similarity 0.7231 NPC101350
Intermediate Similarity 0.7231 NPC166722
Intermediate Similarity 0.7231 NPC11408
Intermediate Similarity 0.7229 NPC274982
Intermediate Similarity 0.7222 NPC310118
Intermediate Similarity 0.722 NPC329747
Intermediate Similarity 0.7215 NPC74575
Intermediate Similarity 0.7215 NPC110151
Intermediate Similarity 0.7202 NPC475816
Intermediate Similarity 0.7202 NPC168922
Intermediate Similarity 0.7198 NPC305984
Intermediate Similarity 0.7197 NPC476999
Intermediate Similarity 0.7195 NPC251090
Intermediate Similarity 0.7193 NPC201697
Intermediate Similarity 0.719 NPC235685
Intermediate Similarity 0.7185 NPC311906
Intermediate Similarity 0.7185 NPC471762
Intermediate Similarity 0.7179 NPC477533
Intermediate Similarity 0.7176 NPC88923
Intermediate Similarity 0.7176 NPC315634
Intermediate Similarity 0.7176 NPC100734
Intermediate Similarity 0.7175 NPC287437
Intermediate Similarity 0.7174 NPC26679
Intermediate Similarity 0.7173 NPC470018
Intermediate Similarity 0.7167 NPC475720
Intermediate Similarity 0.7167 NPC101543
Intermediate Similarity 0.7167 NPC474192
Intermediate Similarity 0.7162 NPC219664
Intermediate Similarity 0.7161 NPC65277
Intermediate Similarity 0.7156 NPC66815
Intermediate Similarity 0.7154 NPC208522
Intermediate Similarity 0.7154 NPC124313
Intermediate Similarity 0.7149 NPC131017
Intermediate Similarity 0.7149 NPC326634
Intermediate Similarity 0.7143 NPC157931
Intermediate Similarity 0.7137 NPC22481
Intermediate Similarity 0.7131 NPC41501
Intermediate Similarity 0.7131 NPC21638
Intermediate Similarity 0.7131 NPC473449
Intermediate Similarity 0.713 NPC72211
Intermediate Similarity 0.7124 NPC473460
Intermediate Similarity 0.7124 NPC223427
Intermediate Similarity 0.7119 NPC473183
Intermediate Similarity 0.7118 NPC185782
Intermediate Similarity 0.7117 NPC13880
Intermediate Similarity 0.7116 NPC206201
Intermediate Similarity 0.7114 NPC15406
Intermediate Similarity 0.7113 NPC476997
Intermediate Similarity 0.7113 NPC252251
Intermediate Similarity 0.7111 NPC267423
Intermediate Similarity 0.7106 NPC472099
Intermediate Similarity 0.7105 NPC193238
Intermediate Similarity 0.7102 NPC210296
Intermediate Similarity 0.7101 NPC214980
Intermediate Similarity 0.71 NPC203168
Intermediate Similarity 0.7087 NPC89549
Intermediate Similarity 0.7087 NPC11464
Intermediate Similarity 0.7083 NPC278525
Intermediate Similarity 0.7083 NPC476998
Intermediate Similarity 0.7083 NPC469792
Intermediate Similarity 0.7083 NPC476996
Intermediate Similarity 0.708 NPC295898
Intermediate Similarity 0.7073 NPC207283
Intermediate Similarity 0.7073 NPC84164
Intermediate Similarity 0.7067 NPC121772
Intermediate Similarity 0.7067 NPC329793
Intermediate Similarity 0.7066 NPC172222
Intermediate Similarity 0.7066 NPC473105
Intermediate Similarity 0.7061 NPC323345
Intermediate Similarity 0.7061 NPC472111
Intermediate Similarity 0.7061 NPC470164
Intermediate Similarity 0.7059 NPC99666
Intermediate Similarity 0.7054 NPC477531
Intermediate Similarity 0.7054 NPC260434
Intermediate Similarity 0.7054 NPC475253
Intermediate Similarity 0.7051 NPC84478
Intermediate Similarity 0.7042 NPC66777
Intermediate Similarity 0.7042 NPC476994
Intermediate Similarity 0.704 NPC70259
Intermediate Similarity 0.7037 NPC473184
Intermediate Similarity 0.7034 NPC128115
Intermediate Similarity 0.7032 NPC66083
Intermediate Similarity 0.7028 NPC1608
Intermediate Similarity 0.7027 NPC279401
Intermediate Similarity 0.7027 NPC79293
Intermediate Similarity 0.7026 NPC48353
Intermediate Similarity 0.7026 NPC264176
Intermediate Similarity 0.7021 NPC469594
Intermediate Similarity 0.702 NPC191489
Intermediate Similarity 0.7018 NPC475070
Intermediate Similarity 0.7018 NPC210256
Intermediate Similarity 0.7017 NPC322482
Intermediate Similarity 0.7012 NPC183537

Drug Structure

External Identifiers

TTD   DCL001168
DrugBank   DB08875
ChEMBL   CHEMBL2105717
IUPHAR/BPS   5887
PharmaGKB  
KEGG Drug   D10062
PubChem CID   25102847
ChEBI   72317
CAS Number  849217-68-1

Drug Properties

Molecular Weight  501.17
ALogP  -1.2926
MLogP  3.55
XLogP  5.787
HDA  5
HBD  2
Rotatable Bonds  13
TPSA  98.78
RO5 Violation  1