Drug Information

Drug ID:  NPD5018
Drug Name:  Brivanib Alaninate
Molecular Formula:  C22H24FN5O4
Canonical SMILES:  C[C@@H](OC(=O)[C@@H](N)C)COc1cn2c(c1C)c(ncn2)Oc1ccc2c(c1F)cc([nH]2)C
Standard InCHI:  InChI=1S/C22H24FN5O4/c1-11-7-15-16(27-11)5-6-17(19(15)23)32-21-20-13(3)18(8-28(20)26-10-25-21)30-9-12(2)31-22(29)14(4)24/h5-8,10,12,14,27H,9,24H2,1-4H3/t12-,14+/m1/s1
Standard InCHIKey:  LTEJRLHKIYCEOX-OCCSQVGLSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD5018

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 0.7717 NPC171393
Intermediate Similarity 0.7717 NPC295452
Intermediate Similarity 0.768 NPC469554
Intermediate Similarity 0.7649 NPC180504
Intermediate Similarity 0.7603 NPC476287
Intermediate Similarity 0.749 NPC314954
Intermediate Similarity 0.7472 NPC74619
Intermediate Similarity 0.747 NPC101543
Intermediate Similarity 0.7418 NPC26679
Intermediate Similarity 0.7338 NPC26543
Intermediate Similarity 0.7325 NPC476465
Intermediate Similarity 0.7322 NPC19872
Intermediate Similarity 0.7322 NPC176538
Intermediate Similarity 0.7303 NPC245816
Intermediate Similarity 0.7303 NPC476138
Intermediate Similarity 0.7296 NPC152620
Intermediate Similarity 0.7295 NPC185782
Intermediate Similarity 0.7227 NPC160666
Intermediate Similarity 0.7212 NPC478006
Intermediate Similarity 0.7201 NPC53534
Intermediate Similarity 0.7176 NPC39092
Intermediate Similarity 0.7175 NPC258048
Intermediate Similarity 0.716 NPC260434
Intermediate Similarity 0.7153 NPC478009
Intermediate Similarity 0.7153 NPC478010
Intermediate Similarity 0.7148 NPC316756
Intermediate Similarity 0.7137 NPC148889
Intermediate Similarity 0.7126 NPC30540
Intermediate Similarity 0.7126 NPC130570
Intermediate Similarity 0.7126 NPC5145
Intermediate Similarity 0.712 NPC8022
Intermediate Similarity 0.712 NPC470799
Intermediate Similarity 0.7117 NPC315467
Intermediate Similarity 0.7115 NPC60621
Intermediate Similarity 0.7088 NPC15801
Intermediate Similarity 0.7078 NPC232727
Intermediate Similarity 0.7063 NPC314882
Intermediate Similarity 0.7061 NPC101350
Intermediate Similarity 0.7056 NPC167860
Intermediate Similarity 0.7056 NPC123976
Intermediate Similarity 0.7052 NPC56271
Intermediate Similarity 0.7052 NPC288349
Intermediate Similarity 0.7043 NPC110151
Intermediate Similarity 0.7037 NPC315957
Intermediate Similarity 0.7023 NPC235685
Intermediate Similarity 0.7022 NPC150447
Intermediate Similarity 0.7018 NPC314056
Intermediate Similarity 0.7 NPC84853
Remote Similarity 0.6996 NPC187558
Remote Similarity 0.6983 NPC267928
Remote Similarity 0.698 NPC310118
Remote Similarity 0.6977 NPC187145
Remote Similarity 0.6973 NPC141053
Remote Similarity 0.6969 NPC193267
Remote Similarity 0.6969 NPC213530
Remote Similarity 0.6964 NPC478011
Remote Similarity 0.6964 NPC478012
Remote Similarity 0.6952 NPC165964
Remote Similarity 0.6946 NPC76748
Remote Similarity 0.6942 NPC478013
Remote Similarity 0.694 NPC314176
Remote Similarity 0.694 NPC472068
Remote Similarity 0.6929 NPC307963
Remote Similarity 0.692 NPC295228
Remote Similarity 0.6917 NPC92111
Remote Similarity 0.6917 NPC170114
Remote Similarity 0.6904 NPC296527
Remote Similarity 0.6902 NPC308906
Remote Similarity 0.6899 NPC125597
Remote Similarity 0.6892 NPC208284
Remote Similarity 0.689 NPC304926
Remote Similarity 0.689 NPC476041
Remote Similarity 0.6883 NPC475774
Remote Similarity 0.6877 NPC470549
Remote Similarity 0.6877 NPC471891
Remote Similarity 0.6872 NPC251090
Remote Similarity 0.687 NPC196718
Remote Similarity 0.6866 NPC472434
Remote Similarity 0.6865 NPC94157
Remote Similarity 0.6864 NPC477633
Remote Similarity 0.686 NPC122436
Remote Similarity 0.6855 NPC475070
Remote Similarity 0.6855 NPC285558
Remote Similarity 0.6844 NPC323752
Remote Similarity 0.6842 NPC471614
Remote Similarity 0.684 NPC287208
Remote Similarity 0.684 NPC82548
Remote Similarity 0.6838 NPC266931
Remote Similarity 0.6838 NPC469592
Remote Similarity 0.6838 NPC471080
Remote Similarity 0.6836 NPC292958
Remote Similarity 0.6836 NPC472436
Remote Similarity 0.6828 NPC477795
Remote Similarity 0.6828 NPC477796
Remote Similarity 0.6828 NPC477805
Remote Similarity 0.6828 NPC477806
Remote Similarity 0.6827 NPC472066
Remote Similarity 0.6827 NPC472031
Remote Similarity 0.6827 NPC472067
Remote Similarity 0.6818 NPC182222
Remote Similarity 0.6815 NPC223427
Remote Similarity 0.6809 NPC132642
Remote Similarity 0.6809 NPC472099
Remote Similarity 0.6808 NPC24370
Remote Similarity 0.6808 NPC319232
Remote Similarity 0.6806 NPC102593
Remote Similarity 0.6798 NPC472098
Remote Similarity 0.6798 NPC471603
Remote Similarity 0.6798 NPC118940
Remote Similarity 0.6797 NPC469594
Remote Similarity 0.679 NPC63971
Remote Similarity 0.679 NPC91868
Remote Similarity 0.6788 NPC472435
Remote Similarity 0.6783 NPC473317
Remote Similarity 0.6768 NPC475253
Remote Similarity 0.6767 NPC184680
Remote Similarity 0.6761 NPC121772
Remote Similarity 0.676 NPC196449
Remote Similarity 0.676 NPC314222
Remote Similarity 0.6754 NPC81175
Remote Similarity 0.6742 NPC470785
Remote Similarity 0.6742 NPC89987
Remote Similarity 0.6739 NPC63109
Remote Similarity 0.6736 NPC284678
Remote Similarity 0.6732 NPC316981
Remote Similarity 0.6721 NPC476167
Remote Similarity 0.6719 NPC123839
Remote Similarity 0.6719 NPC36405
Remote Similarity 0.6719 NPC152768
Remote Similarity 0.6719 NPC148183
Remote Similarity 0.6718 NPC17305
Remote Similarity 0.6716 NPC178858
Remote Similarity 0.6707 NPC156704
Remote Similarity 0.6707 NPC193761
Remote Similarity 0.6705 NPC250178
Remote Similarity 0.6693 NPC242923
Remote Similarity 0.668 NPC192315
Remote Similarity 0.6679 NPC207686
Remote Similarity 0.6667 NPC96321
Remote Similarity 0.6667 NPC478081
Remote Similarity 0.6654 NPC473185
Remote Similarity 0.6654 NPC6215
Remote Similarity 0.6654 NPC477861
Remote Similarity 0.6653 NPC470500
Remote Similarity 0.6653 NPC475190
Remote Similarity 0.6653 NPC18487
Remote Similarity 0.6643 NPC477634
Remote Similarity 0.6641 NPC54744
Remote Similarity 0.664 NPC266249
Remote Similarity 0.663 NPC477066
Remote Similarity 0.663 NPC99891
Remote Similarity 0.6629 NPC39370
Remote Similarity 0.6628 NPC305984
Remote Similarity 0.6627 NPC315491
Remote Similarity 0.6627 NPC45459
Remote Similarity 0.6617 NPC41679
Remote Similarity 0.6617 NPC470784
Remote Similarity 0.6617 NPC328924
Remote Similarity 0.6617 NPC473186
Remote Similarity 0.6615 NPC477979
Remote Similarity 0.6614 NPC174758
Remote Similarity 0.6614 NPC174672
Remote Similarity 0.6614 NPC476098
Remote Similarity 0.6605 NPC473540
Remote Similarity 0.6605 NPC478082
Remote Similarity 0.6605 NPC477067
Remote Similarity 0.6604 NPC69843
Remote Similarity 0.6603 NPC64216
Remote Similarity 0.6602 NPC303658
Remote Similarity 0.6601 NPC88008
Remote Similarity 0.66 NPC470586
Remote Similarity 0.6599 NPC13880
Remote Similarity 0.6591 NPC157931
Remote Similarity 0.6591 NPC323244
Remote Similarity 0.6588 NPC471304
Remote Similarity 0.6581 NPC316224
Remote Similarity 0.658 NPC28945
Remote Similarity 0.658 NPC473183
Remote Similarity 0.6579 NPC476451
Remote Similarity 0.6578 NPC21638
Remote Similarity 0.6576 NPC282247
Remote Similarity 0.6569 NPC17437
Remote Similarity 0.6564 NPC312645
Remote Similarity 0.6564 NPC12100
Remote Similarity 0.656 NPC329793
Remote Similarity 0.6558 NPC473800
Remote Similarity 0.6557 NPC78609
Remote Similarity 0.6556 NPC176127
Remote Similarity 0.6554 NPC475720
Remote Similarity 0.6554 NPC474192
Remote Similarity 0.655 NPC478157
Remote Similarity 0.6549 NPC469589
Remote Similarity 0.6547 NPC303374
Remote Similarity 0.6544 NPC473312
Remote Similarity 0.6541 NPC326363
Remote Similarity 0.6532 NPC194967
Remote Similarity 0.6528 NPC244536
Remote Similarity 0.6523 NPC199667
Remote Similarity 0.6513 NPC473179
Remote Similarity 0.6512 NPC162530

Drug Structure

External Identifiers

TTD   DCL000358
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   11154925
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  441.18
ALogP  -0.0885
MLogP  2.78
XLogP  2.534
HDA  7
HBD  2
Rotatable Bonds  14
TPSA  116.76
RO5 Violation  0