Drug Information

Drug ID:  NPD7859
Drug Name:  Foretinib
Molecular Formula:  C34H34F2N4O6
Canonical SMILES:  COc1cc2c(ccnc2cc1OCCCN1CCOCC1)Oc1ccc(cc1F)N=C(C1(CC1)C(=O)Nc1ccc(cc1)F)O
Standard InCHI:  InChI=1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(H,38,41)(H,39,42)
Standard InCHIKey:  CXQHYVUVSFXTMY-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD7859

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 0.7857 NPC201508
Intermediate Similarity 0.7851 NPC290689
Intermediate Similarity 0.7792 NPC96584
Intermediate Similarity 0.7792 NPC255800
Intermediate Similarity 0.7654 NPC295228
Intermediate Similarity 0.7632 NPC476581
Intermediate Similarity 0.7632 NPC16452
Intermediate Similarity 0.7632 NPC36229
Intermediate Similarity 0.7629 NPC202605
Intermediate Similarity 0.7629 NPC112206
Intermediate Similarity 0.757 NPC56271
Intermediate Similarity 0.7566 NPC476582
Intermediate Similarity 0.7566 NPC4071
Intermediate Similarity 0.7566 NPC476578
Intermediate Similarity 0.7529 NPC284685
Intermediate Similarity 0.7521 NPC266931
Intermediate Similarity 0.75 NPC31930
Intermediate Similarity 0.7481 NPC132385
Intermediate Similarity 0.7479 NPC316981
Intermediate Similarity 0.7478 NPC264166
Intermediate Similarity 0.7478 NPC47059
Intermediate Similarity 0.7478 NPC118832
Intermediate Similarity 0.7478 NPC329708
Intermediate Similarity 0.7478 NPC165349
Intermediate Similarity 0.7478 NPC274291
Intermediate Similarity 0.746 NPC99891
Intermediate Similarity 0.7447 NPC162530
Intermediate Similarity 0.7418 NPC476999
Intermediate Similarity 0.7417 NPC280272
Intermediate Similarity 0.7409 NPC184680
Intermediate Similarity 0.7407 NPC476997
Intermediate Similarity 0.7404 NPC296482
Intermediate Similarity 0.7404 NPC202768
Intermediate Similarity 0.7404 NPC53069
Intermediate Similarity 0.74 NPC188400
Intermediate Similarity 0.7395 NPC473822
Intermediate Similarity 0.7385 NPC100734
Intermediate Similarity 0.7385 NPC315634
Intermediate Similarity 0.7385 NPC88923
Intermediate Similarity 0.7379 NPC470785
Intermediate Similarity 0.7378 NPC195268
Intermediate Similarity 0.7378 NPC133140
Intermediate Similarity 0.7377 NPC476996
Intermediate Similarity 0.7377 NPC476998
Intermediate Similarity 0.7364 NPC193267
Intermediate Similarity 0.7364 NPC213530
Intermediate Similarity 0.7359 NPC473460
Intermediate Similarity 0.7339 NPC476995
Intermediate Similarity 0.7339 NPC313189
Intermediate Similarity 0.7336 NPC476994
Intermediate Similarity 0.7328 NPC277351
Intermediate Similarity 0.7328 NPC285558
Intermediate Similarity 0.7322 NPC173080
Intermediate Similarity 0.7317 NPC469554
Intermediate Similarity 0.7283 NPC270515
Intermediate Similarity 0.7273 NPC122463
Intermediate Similarity 0.7257 NPC171409
Intermediate Similarity 0.7257 NPC96405
Intermediate Similarity 0.7256 NPC471303
Intermediate Similarity 0.7254 NPC214980
Intermediate Similarity 0.725 NPC469594
Intermediate Similarity 0.7246 NPC219664
Intermediate Similarity 0.7246 NPC167860
Intermediate Similarity 0.7246 NPC123976
Intermediate Similarity 0.724 NPC470784
Intermediate Similarity 0.7231 NPC191489
Intermediate Similarity 0.7229 NPC315957
Intermediate Similarity 0.7209 NPC472435
Intermediate Similarity 0.7208 NPC473513
Intermediate Similarity 0.7206 NPC217176
Intermediate Similarity 0.72 NPC473183
Intermediate Similarity 0.7192 NPC472436
Intermediate Similarity 0.7191 NPC135549
Intermediate Similarity 0.719 NPC174049
Intermediate Similarity 0.7188 NPC26543
Intermediate Similarity 0.7185 NPC203168
Intermediate Similarity 0.7178 NPC100079
Intermediate Similarity 0.7178 NPC23614
Intermediate Similarity 0.7177 NPC101543
Intermediate Similarity 0.7167 NPC66815
Intermediate Similarity 0.7167 NPC199277
Intermediate Similarity 0.7167 NPC135887
Intermediate Similarity 0.7166 NPC469792
Intermediate Similarity 0.7166 NPC326363
Intermediate Similarity 0.7165 NPC284141
Intermediate Similarity 0.7165 NPC208522
Intermediate Similarity 0.7155 NPC149471
Intermediate Similarity 0.7155 NPC271215
Intermediate Similarity 0.7155 NPC234197
Intermediate Similarity 0.7155 NPC471080
Intermediate Similarity 0.7155 NPC469592
Intermediate Similarity 0.7149 NPC472111
Intermediate Similarity 0.7149 NPC323752
Intermediate Similarity 0.7143 NPC473449
Intermediate Similarity 0.7137 NPC475253
Intermediate Similarity 0.7131 NPC118121
Intermediate Similarity 0.7131 NPC469589
Intermediate Similarity 0.7125 NPC235076
Intermediate Similarity 0.712 NPC473184
Intermediate Similarity 0.7115 NPC119134
Intermediate Similarity 0.7115 NPC217554
Intermediate Similarity 0.7114 NPC24370
Intermediate Similarity 0.7114 NPC319232
Intermediate Similarity 0.7107 NPC204446
Intermediate Similarity 0.7103 NPC474183
Intermediate Similarity 0.7101 NPC188420
Intermediate Similarity 0.7099 NPC89549
Intermediate Similarity 0.7098 NPC472434
Intermediate Similarity 0.7098 NPC78609
Intermediate Similarity 0.7097 NPC24019
Intermediate Similarity 0.7096 NPC260909
Intermediate Similarity 0.7095 NPC288349
Intermediate Similarity 0.709 NPC60621
Intermediate Similarity 0.7085 NPC110151
Intermediate Similarity 0.7083 NPC236668
Intermediate Similarity 0.7082 NPC477019
Intermediate Similarity 0.7078 NPC46451
Intermediate Similarity 0.7077 NPC478080
Intermediate Similarity 0.7074 NPC237901
Intermediate Similarity 0.7074 NPC195788
Intermediate Similarity 0.707 NPC58209
Intermediate Similarity 0.7068 NPC478009
Intermediate Similarity 0.7068 NPC477531
Intermediate Similarity 0.7059 NPC174758
Intermediate Similarity 0.7056 NPC251090
Intermediate Similarity 0.7056 NPC252251
Intermediate Similarity 0.7056 NPC314954
Intermediate Similarity 0.7054 NPC146976
Intermediate Similarity 0.7052 NPC325976
Intermediate Similarity 0.7049 NPC477533
Intermediate Similarity 0.7049 NPC128115
Intermediate Similarity 0.7043 NPC307963
Intermediate Similarity 0.7042 NPC26679
Intermediate Similarity 0.7042 NPC251160
Intermediate Similarity 0.7036 NPC11408
Intermediate Similarity 0.7034 NPC473422
Intermediate Similarity 0.7028 NPC209174
Intermediate Similarity 0.7027 NPC133609
Intermediate Similarity 0.702 NPC310118
Intermediate Similarity 0.702 NPC477532
Intermediate Similarity 0.702 NPC166712
Intermediate Similarity 0.7017 NPC475910
Intermediate Similarity 0.7017 NPC82548
Intermediate Similarity 0.7016 NPC473185
Intermediate Similarity 0.7012 NPC473105
Intermediate Similarity 0.7008 NPC17565
Intermediate Similarity 0.7008 NPC168922
Intermediate Similarity 0.7008 NPC475816
Intermediate Similarity 0.7008 NPC41501
Intermediate Similarity 0.7004 NPC21638
Intermediate Similarity 0.7 NPC208284
Remote Similarity 0.6996 NPC305984
Remote Similarity 0.6992 NPC160100
Remote Similarity 0.6987 NPC471561
Remote Similarity 0.6984 NPC34770
Remote Similarity 0.6982 NPC312872
Remote Similarity 0.698 NPC472099
Remote Similarity 0.6979 NPC232727
Remote Similarity 0.6976 NPC200888
Remote Similarity 0.6975 NPC116701
Remote Similarity 0.6973 NPC329982
Remote Similarity 0.6972 NPC49547
Remote Similarity 0.6972 NPC474192
Remote Similarity 0.6972 NPC475720
Remote Similarity 0.6969 NPC166722
Remote Similarity 0.6967 NPC303658
Remote Similarity 0.6964 NPC65277
Remote Similarity 0.6958 NPC5145
Remote Similarity 0.6957 NPC92111
Remote Similarity 0.6955 NPC152620
Remote Similarity 0.6955 NPC470799
Remote Similarity 0.6955 NPC8022
Remote Similarity 0.6955 NPC477110
Remote Similarity 0.6955 NPC170114
Remote Similarity 0.6947 NPC303374
Remote Similarity 0.6947 NPC9482
Remote Similarity 0.694 NPC478010
Remote Similarity 0.694 NPC326634
Remote Similarity 0.6936 NPC176538
Remote Similarity 0.6935 NPC189079
Remote Similarity 0.6932 NPC478006
Remote Similarity 0.6926 NPC316224
Remote Similarity 0.6926 NPC15406
Remote Similarity 0.6923 NPC203373
Remote Similarity 0.6923 NPC127085
Remote Similarity 0.6923 NPC210434
Remote Similarity 0.692 NPC53534
Remote Similarity 0.692 NPC223427
Remote Similarity 0.692 NPC475774
Remote Similarity 0.692 NPC162484
Remote Similarity 0.6917 NPC90875
Remote Similarity 0.6917 NPC185782
Remote Similarity 0.6917 NPC253675
Remote Similarity 0.6917 NPC174672
Remote Similarity 0.6914 NPC470549
Remote Similarity 0.6914 NPC210296
Remote Similarity 0.6914 NPC81175
Remote Similarity 0.6913 NPC76748
Remote Similarity 0.6911 NPC132642
Remote Similarity 0.6911 NPC54066

Drug Structure

External Identifiers

TTD   DCL000265
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   42642645
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  632.24
ALogP  -0.7213
MLogP  3.88
XLogP  5.715
HDA  7
HBD  2
Rotatable Bonds  17
TPSA  114.74
RO5 Violation  2