Drug Information

Drug ID:  NPD6244
Drug Name:  Cediranib
Molecular Formula:  C25H27FN4O3
Canonical SMILES:  COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
Standard InCHI:  InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
Standard InCHIKey:  XXJWYDDUDKYVKI-UHFFFAOYSA-N
Max Developmental Stage:  Phase 3
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD6244

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 0.8445 NPC56271
Intermediate Similarity 0.7745 NPC130570
Intermediate Similarity 0.7621 NPC285558
Intermediate Similarity 0.7543 NPC316981
Intermediate Similarity 0.7521 NPC170114
Intermediate Similarity 0.7511 NPC266931
Intermediate Similarity 0.751 NPC472068
Intermediate Similarity 0.7479 NPC470549
Intermediate Similarity 0.7479 NPC160666
Intermediate Similarity 0.7459 NPC277351
Intermediate Similarity 0.7456 NPC135887
Intermediate Similarity 0.7456 NPC199277
Intermediate Similarity 0.745 NPC472031
Intermediate Similarity 0.745 NPC472066
Intermediate Similarity 0.745 NPC472067
Intermediate Similarity 0.7449 NPC469554
Intermediate Similarity 0.7429 NPC295228
Intermediate Similarity 0.7424 NPC162484
Intermediate Similarity 0.7398 NPC473183
Intermediate Similarity 0.7395 NPC477533
Intermediate Similarity 0.7384 NPC469594
Intermediate Similarity 0.7382 NPC167860
Intermediate Similarity 0.7382 NPC123976
Intermediate Similarity 0.7379 NPC217554
Intermediate Similarity 0.7368 NPC30540
Intermediate Similarity 0.7368 NPC329747
Intermediate Similarity 0.7362 NPC469592
Intermediate Similarity 0.7362 NPC471080
Intermediate Similarity 0.736 NPC284141
Intermediate Similarity 0.735 NPC208284
Intermediate Similarity 0.7336 NPC232727
Intermediate Similarity 0.7336 NPC475253
Intermediate Similarity 0.7333 NPC303374
Intermediate Similarity 0.7333 NPC280272
Intermediate Similarity 0.7317 NPC473184
Intermediate Similarity 0.7306 NPC101543
Intermediate Similarity 0.7298 NPC11408
Intermediate Similarity 0.7296 NPC476465
Intermediate Similarity 0.7293 NPC176538
Intermediate Similarity 0.7288 NPC162530
Intermediate Similarity 0.728 NPC193267
Intermediate Similarity 0.728 NPC213530
Intermediate Similarity 0.7273 NPC223427
Intermediate Similarity 0.7254 NPC252251
Intermediate Similarity 0.7251 NPC477795
Intermediate Similarity 0.7251 NPC477796
Intermediate Similarity 0.7251 NPC477805
Intermediate Similarity 0.7251 NPC477806
Intermediate Similarity 0.7244 NPC92111
Intermediate Similarity 0.7225 NPC131017
Intermediate Similarity 0.7222 NPC475910
Intermediate Similarity 0.722 NPC310118
Intermediate Similarity 0.7217 NPC329793
Intermediate Similarity 0.7213 NPC473185
Intermediate Similarity 0.7213 NPC110151
Intermediate Similarity 0.7211 NPC39092
Intermediate Similarity 0.7208 NPC308906
Intermediate Similarity 0.7206 NPC180504
Intermediate Similarity 0.7205 NPC72211
Intermediate Similarity 0.72 NPC76748
Intermediate Similarity 0.7195 NPC477531
Intermediate Similarity 0.7191 NPC201697
Intermediate Similarity 0.7184 NPC314954
Intermediate Similarity 0.7181 NPC307963
Intermediate Similarity 0.7173 NPC26679
Intermediate Similarity 0.7173 NPC94157
Intermediate Similarity 0.7167 NPC16452
Intermediate Similarity 0.7167 NPC36229
Intermediate Similarity 0.7167 NPC476581
Intermediate Similarity 0.7161 NPC290689
Intermediate Similarity 0.7156 NPC296527
Intermediate Similarity 0.7154 NPC209174
Intermediate Similarity 0.7149 NPC477532
Intermediate Similarity 0.7143 NPC234197
Intermediate Similarity 0.7143 NPC187145
Intermediate Similarity 0.7137 NPC133140
Intermediate Similarity 0.7137 NPC195268
Intermediate Similarity 0.713 NPC84478
Intermediate Similarity 0.7118 NPC251090
Intermediate Similarity 0.7118 NPC70259
Intermediate Similarity 0.7109 NPC51854
Intermediate Similarity 0.7107 NPC132642
Intermediate Similarity 0.7101 NPC202768
Intermediate Similarity 0.7101 NPC96405
Intermediate Similarity 0.7101 NPC48353
Intermediate Similarity 0.7101 NPC471603
Intermediate Similarity 0.7101 NPC296482
Intermediate Similarity 0.7101 NPC171409
Intermediate Similarity 0.7101 NPC53069
Intermediate Similarity 0.71 NPC476578
Intermediate Similarity 0.71 NPC4071
Intermediate Similarity 0.71 NPC476582
Intermediate Similarity 0.7089 NPC471304
Intermediate Similarity 0.7085 NPC176127
Intermediate Similarity 0.7075 NPC171393
Intermediate Similarity 0.7075 NPC295452
Intermediate Similarity 0.7074 NPC43787
Intermediate Similarity 0.7074 NPC205934
Intermediate Similarity 0.7071 NPC478074
Intermediate Similarity 0.707 NPC9729
Intermediate Similarity 0.7069 NPC477019
Intermediate Similarity 0.7069 NPC121772
Intermediate Similarity 0.7069 NPC315957
Intermediate Similarity 0.7068 NPC473182
Intermediate Similarity 0.7067 NPC204385
Intermediate Similarity 0.7066 NPC250178
Intermediate Similarity 0.7064 NPC476106
Intermediate Similarity 0.7054 NPC305984
Intermediate Similarity 0.7054 NPC473513
Intermediate Similarity 0.705 NPC284685
Intermediate Similarity 0.7046 NPC185782
Intermediate Similarity 0.7046 NPC469589
Intermediate Similarity 0.7045 NPC312872
Intermediate Similarity 0.7045 NPC471762
Intermediate Similarity 0.7039 NPC476044
Intermediate Similarity 0.7039 NPC31930
Intermediate Similarity 0.7039 NPC267423
Intermediate Similarity 0.7034 NPC313189
Intermediate Similarity 0.7034 NPC193777
Intermediate Similarity 0.7034 NPC135549
Intermediate Similarity 0.7025 NPC173080
Intermediate Similarity 0.7024 NPC101350
Intermediate Similarity 0.7023 NPC89549
Intermediate Similarity 0.7021 NPC475070
Intermediate Similarity 0.702 NPC78609
Intermediate Similarity 0.7017 NPC219664
Intermediate Similarity 0.7009 NPC475112
Intermediate Similarity 0.7009 NPC291535
Intermediate Similarity 0.7009 NPC475085
Intermediate Similarity 0.7004 NPC157931
Intermediate Similarity 0.7 NPC326634
Remote Similarity 0.6996 NPC473179
Remote Similarity 0.6996 NPC46451
Remote Similarity 0.6992 NPC472111
Remote Similarity 0.6984 NPC235685
Remote Similarity 0.698 NPC316756
Remote Similarity 0.6977 NPC26543
Remote Similarity 0.697 NPC13880
Remote Similarity 0.6964 NPC227908
Remote Similarity 0.6958 NPC112206
Remote Similarity 0.6958 NPC203168
Remote Similarity 0.6958 NPC202605
Remote Similarity 0.6955 NPC473822
Remote Similarity 0.6955 NPC96321
Remote Similarity 0.6955 NPC23614
Remote Similarity 0.6955 NPC473041
Remote Similarity 0.6955 NPC100079
Remote Similarity 0.6946 NPC11464
Remote Similarity 0.6946 NPC5145
Remote Similarity 0.694 NPC243834
Remote Similarity 0.694 NPC70956
Remote Similarity 0.6939 NPC60621
Remote Similarity 0.6939 NPC17305
Remote Similarity 0.6929 NPC149471
Remote Similarity 0.6929 NPC271215
Remote Similarity 0.6923 NPC21638
Remote Similarity 0.692 NPC201508
Remote Similarity 0.6917 NPC315634
Remote Similarity 0.6917 NPC88923
Remote Similarity 0.6917 NPC100734
Remote Similarity 0.6914 NPC476041
Remote Similarity 0.6914 NPC304926
Remote Similarity 0.6913 NPC99666
Remote Similarity 0.6908 NPC66777
Remote Similarity 0.6908 NPC476997
Remote Similarity 0.6907 NPC475774
Remote Similarity 0.6902 NPC477066
Remote Similarity 0.6901 NPC235076
Remote Similarity 0.6892 NPC474192
Remote Similarity 0.6892 NPC475720
Remote Similarity 0.6889 NPC206201
Remote Similarity 0.6887 NPC81939
Remote Similarity 0.6883 NPC79293
Remote Similarity 0.6883 NPC279401
Remote Similarity 0.6882 NPC63109
Remote Similarity 0.688 NPC287437
Remote Similarity 0.688 NPC476996
Remote Similarity 0.688 NPC476998
Remote Similarity 0.6878 NPC470930
Remote Similarity 0.6875 NPC477067
Remote Similarity 0.6875 NPC478081
Remote Similarity 0.6875 NPC478082
Remote Similarity 0.6875 NPC199667
Remote Similarity 0.6875 NPC188420
Remote Similarity 0.6872 NPC8022
Remote Similarity 0.6872 NPC288349
Remote Similarity 0.6872 NPC470799
Remote Similarity 0.6865 NPC96584
Remote Similarity 0.6865 NPC255800
Remote Similarity 0.6863 NPC471303
Remote Similarity 0.686 NPC475666
Remote Similarity 0.6855 NPC35761
Remote Similarity 0.6853 NPC476999
Remote Similarity 0.6853 NPC217176
Remote Similarity 0.6851 NPC19872
Remote Similarity 0.685 NPC184680
Remote Similarity 0.684 NPC476994
Remote Similarity 0.684 NPC237978
Remote Similarity 0.6836 NPC81175
Remote Similarity 0.6836 NPC99891

Drug Structure

External Identifiers

TTD   DCL000354
DrugBank   DB04849
ChEMBL   CHEMBL491473
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   9933475
ChEBI   94782
CAS Number  288383-20-0

Drug Properties

Molecular Weight  450.21
ALogP  -0.6656
MLogP  3.33
XLogP  4.002
HDA  4
HBD  1
Rotatable Bonds  11
TPSA  72.5
RO5 Violation  0