Drug Information

Drug ID:  NPD5869
Drug Name:  Tesevatinib
Molecular Formula:  C24H25Cl2FN4O2
Canonical SMILES:  COc1cc2c(cc1OC[C@@H]1C[C@H]3[C@@H](C1)CN(C3)C)ncnc2Nc1ccc(c(c1F)Cl)Cl
Standard InCHI:  InChI=1S/C24H25Cl2FN4O2/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30)/t13-,14-,15+
Standard InCHIKey:  HVXKQKFEHMGHSL-QKDCVEJESA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5869

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
High Similarity 0.9025 NPC56271
Intermediate Similarity 0.7099 NPC472066
Intermediate Similarity 0.7099 NPC472031
Intermediate Similarity 0.7099 NPC472067
Remote Similarity 0.6958 NPC472068
Remote Similarity 0.6944 NPC130570
Remote Similarity 0.6885 NPC30540
Remote Similarity 0.6883 NPC316981
Remote Similarity 0.6855 NPC162530
Remote Similarity 0.6855 NPC266931
Remote Similarity 0.6803 NPC285558
Remote Similarity 0.679 NPC199277
Remote Similarity 0.679 NPC135887
Remote Similarity 0.6786 NPC308906
Remote Similarity 0.6783 NPC160666
Remote Similarity 0.6777 NPC329747
Remote Similarity 0.6772 NPC280272
Remote Similarity 0.6762 NPC162484
Remote Similarity 0.6743 NPC295228
Remote Similarity 0.6741 NPC303374
Remote Similarity 0.6735 NPC36229
Remote Similarity 0.6735 NPC476581
Remote Similarity 0.6735 NPC16452
Remote Similarity 0.6708 NPC234197
Remote Similarity 0.6695 NPC195268
Remote Similarity 0.6695 NPC133140
Remote Similarity 0.668 NPC476044
Remote Similarity 0.668 NPC296482
Remote Similarity 0.668 NPC202768
Remote Similarity 0.668 NPC53069
Remote Similarity 0.6667 NPC170114
Remote Similarity 0.6667 NPC476582
Remote Similarity 0.6667 NPC471614
Remote Similarity 0.6667 NPC4071
Remote Similarity 0.6667 NPC476578
Remote Similarity 0.6653 NPC475910
Remote Similarity 0.6653 NPC476465
Remote Similarity 0.664 NPC473513
Remote Similarity 0.6639 NPC477019
Remote Similarity 0.6639 NPC329793
Remote Similarity 0.6627 NPC470549
Remote Similarity 0.6614 NPC171409
Remote Similarity 0.6614 NPC173080
Remote Similarity 0.6614 NPC96405
Remote Similarity 0.6613 NPC313189
Remote Similarity 0.6612 NPC31930
Remote Similarity 0.6612 NPC232727
Remote Similarity 0.6602 NPC310118
Remote Similarity 0.6602 NPC187145
Remote Similarity 0.6602 NPC110151
Remote Similarity 0.66 NPC167860
Remote Similarity 0.66 NPC123976
Remote Similarity 0.66 NPC290689
Remote Similarity 0.6587 NPC469592
Remote Similarity 0.6587 NPC471080
Remote Similarity 0.6583 NPC92111
Remote Similarity 0.6574 NPC208284
Remote Similarity 0.6571 NPC315957
Remote Similarity 0.6571 NPC176538
Remote Similarity 0.657 NPC131017
Remote Similarity 0.656 NPC201697
Remote Similarity 0.6557 NPC72211
Remote Similarity 0.6555 NPC204385
Remote Similarity 0.6548 NPC112206
Remote Similarity 0.6548 NPC202605
Remote Similarity 0.6546 NPC135549
Remote Similarity 0.6542 NPC76748
Remote Similarity 0.6534 NPC471304
Remote Similarity 0.6531 NPC287437
Remote Similarity 0.6531 NPC51854
Remote Similarity 0.653 NPC477795
Remote Similarity 0.653 NPC477796
Remote Similarity 0.653 NPC477806
Remote Similarity 0.653 NPC477805
Remote Similarity 0.6529 NPC307963
Remote Similarity 0.6528 NPC473183
Remote Similarity 0.6524 NPC312872
Remote Similarity 0.6523 NPC193267
Remote Similarity 0.6523 NPC213530
Remote Similarity 0.6523 NPC250178
Remote Similarity 0.6522 NPC478074
Remote Similarity 0.6513 NPC471762
Remote Similarity 0.6506 NPC472111
Remote Similarity 0.65 NPC296527
Remote Similarity 0.6494 NPC9729
Remote Similarity 0.6494 NPC469589
Remote Similarity 0.6492 NPC223427
Remote Similarity 0.6484 NPC23614
Remote Similarity 0.6484 NPC469594
Remote Similarity 0.6484 NPC100079
Remote Similarity 0.6482 NPC48353
Remote Similarity 0.6482 NPC471603
Remote Similarity 0.6478 NPC267423
Remote Similarity 0.6475 NPC251090
Remote Similarity 0.6475 NPC70259
Remote Similarity 0.6475 NPC157931
Remote Similarity 0.6471 NPC84478
Remote Similarity 0.6464 NPC475253
Remote Similarity 0.6459 NPC46451
Remote Similarity 0.6457 NPC271215
Remote Similarity 0.6457 NPC149471
Remote Similarity 0.6453 NPC473184
Remote Similarity 0.645 NPC66777
Remote Similarity 0.644 NPC470164
Remote Similarity 0.644 NPC323345
Remote Similarity 0.6434 NPC472099
Remote Similarity 0.6434 NPC43787
Remote Similarity 0.6434 NPC205934
Remote Similarity 0.6434 NPC477533
Remote Similarity 0.6431 NPC235076
Remote Similarity 0.6429 NPC176127
Remote Similarity 0.6426 NPC115595
Remote Similarity 0.642 NPC473041
Remote Similarity 0.642 NPC96321
Remote Similarity 0.6417 NPC472098
Remote Similarity 0.6417 NPC251160
Remote Similarity 0.6414 NPC193777
Remote Similarity 0.6409 NPC17305
Remote Similarity 0.6407 NPC316756
Remote Similarity 0.6405 NPC471593
Remote Similarity 0.6403 NPC188420
Remote Similarity 0.6403 NPC11464
Remote Similarity 0.6387 NPC206201
Remote Similarity 0.6386 NPC475112
Remote Similarity 0.6386 NPC291535
Remote Similarity 0.6386 NPC475085
Remote Similarity 0.6377 NPC469554
Remote Similarity 0.6375 NPC476106
Remote Similarity 0.6374 NPC214980
Remote Similarity 0.6371 NPC121772
Remote Similarity 0.6371 NPC174049
Remote Similarity 0.6371 NPC11017
Remote Similarity 0.637 NPC39092
Remote Similarity 0.6364 NPC174758
Remote Similarity 0.6357 NPC473822
Remote Similarity 0.6353 NPC180504
Remote Similarity 0.6353 NPC264176
Remote Similarity 0.635 NPC473185
Remote Similarity 0.6341 NPC13880
Remote Similarity 0.633 NPC277351
Remote Similarity 0.6326 NPC252251
Remote Similarity 0.6326 NPC314954
Remote Similarity 0.6324 NPC82548
Remote Similarity 0.6324 NPC470931
Remote Similarity 0.6318 NPC305984
Remote Similarity 0.6318 NPC144114
Remote Similarity 0.6316 NPC101543
Remote Similarity 0.6316 NPC243834
Remote Similarity 0.6316 NPC70956
Remote Similarity 0.6314 NPC242923
Remote Similarity 0.6312 NPC132631
Remote Similarity 0.6312 NPC103687
Remote Similarity 0.631 NPC171393
Remote Similarity 0.631 NPC295452
Remote Similarity 0.6308 NPC284685
Remote Similarity 0.6301 NPC326634
Remote Similarity 0.6289 NPC26679
Remote Similarity 0.6289 NPC94157
Remote Similarity 0.6286 NPC99666
Remote Similarity 0.6284 NPC60621
Remote Similarity 0.6279 NPC148183
Remote Similarity 0.6279 NPC152768
Remote Similarity 0.6278 NPC477531
Remote Similarity 0.6278 NPC201508
Remote Similarity 0.6275 NPC219664
Remote Similarity 0.6273 NPC217554
Remote Similarity 0.627 NPC475070
Remote Similarity 0.627 NPC470930
Remote Similarity 0.6264 NPC284141
Remote Similarity 0.626 NPC118121
Remote Similarity 0.6255 NPC12100
Remote Similarity 0.625 NPC2497
Remote Similarity 0.6241 NPC209174
Remote Similarity 0.624 NPC249040
Remote Similarity 0.6235 NPC174672
Remote Similarity 0.6231 NPC204446
Remote Similarity 0.6231 NPC96584
Remote Similarity 0.6231 NPC473182
Remote Similarity 0.6231 NPC467439
Remote Similarity 0.6231 NPC255800
Remote Similarity 0.623 NPC475774
Remote Similarity 0.623 NPC472289
Remote Similarity 0.6226 NPC203168
Remote Similarity 0.6221 NPC477532
Remote Similarity 0.6217 NPC300114
Remote Similarity 0.6216 NPC274982
Remote Similarity 0.6212 NPC21638
Remote Similarity 0.6211 NPC5145
Remote Similarity 0.621 NPC194967
Remote Similarity 0.6208 NPC253675
Remote Similarity 0.6206 NPC118832
Remote Similarity 0.6206 NPC47059
Remote Similarity 0.6206 NPC329708
Remote Similarity 0.6206 NPC264166
Remote Similarity 0.6206 NPC274291
Remote Similarity 0.6206 NPC165349
Remote Similarity 0.6203 NPC476997
Remote Similarity 0.6202 NPC236668
Remote Similarity 0.6199 NPC101350
Remote Similarity 0.6199 NPC11408

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  490.13
ALogP  0.6988
MLogP  3.11
XLogP  4.186
HDA  4
HBD  1
Rotatable Bonds  11
TPSA  59.51
RO5 Violation  0