Drug Information

Drug ID:  NPD7493
Drug Name:  
Molecular Formula:  C30H41N3O10P2
Canonical SMILES:  OC(=N[C@H]1CCCCc2c1cc(C(=N)O)c(c2)OCC1CCCCC1)[C@@H](N=C(O)C)Cc1ccc(c(c1)P(=O)(O)O)P(=O)(O)O
Standard InCHI:  InChI=1S/C30H41N3O10P2/c1-18(34)32-25(13-20-11-12-27(44(37,38)39)28(14-20)45(40,41)42)30(36)33-24-10-6-5-9-21-15-26(23(29(31)35)16-22(21)24)43-17-19-7-3-2-4-8-19/h11-12,14-16,19,24-25H,2-10,13,17H2,1H3,(H2,31,35)(H,32,34)(H,33,36)(H2,37,38,39)(H2,40,41,42)/t24-,25-/m0/s1
Standard InCHIKey:  SPSGYTWOIGAABK-DQEYMECFSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7493

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 0.7778 NPC195766
Intermediate Similarity 0.7778 NPC206736
Intermediate Similarity 0.7633 NPC276665
Intermediate Similarity 0.7633 NPC265473
Intermediate Similarity 0.7572 NPC79328
Intermediate Similarity 0.754 NPC476565
Intermediate Similarity 0.7514 NPC195392
Intermediate Similarity 0.7487 NPC223236
Intermediate Similarity 0.7487 NPC259350
Intermediate Similarity 0.7458 NPC209377
Intermediate Similarity 0.7442 NPC18614
Intermediate Similarity 0.7429 NPC329837
Intermediate Similarity 0.7429 NPC221864
Intermediate Similarity 0.7416 NPC90984
Intermediate Similarity 0.7416 NPC193853
Intermediate Similarity 0.7416 NPC223077
Intermediate Similarity 0.7416 NPC68328
Intermediate Similarity 0.7416 NPC56887
Intermediate Similarity 0.7414 NPC29647
Intermediate Similarity 0.7386 NPC235143
Intermediate Similarity 0.7386 NPC119649
Intermediate Similarity 0.7386 NPC271388
Intermediate Similarity 0.7386 NPC205255
Intermediate Similarity 0.7386 NPC230956
Intermediate Similarity 0.7384 NPC52475
Intermediate Similarity 0.7348 NPC231371
Intermediate Similarity 0.7346 NPC471953
Intermediate Similarity 0.7345 NPC80759
Intermediate Similarity 0.7345 NPC79402
Intermediate Similarity 0.7341 NPC275027
Intermediate Similarity 0.733 NPC234318
Intermediate Similarity 0.7322 NPC283999
Intermediate Similarity 0.7294 NPC245974
Intermediate Similarity 0.7278 NPC247298
Intermediate Similarity 0.7257 NPC123323
Intermediate Similarity 0.7246 NPC212850
Intermediate Similarity 0.7246 NPC83289
Intermediate Similarity 0.7246 NPC189724
Intermediate Similarity 0.7243 NPC119068
Intermediate Similarity 0.7243 NPC40496
Intermediate Similarity 0.7235 NPC5462
Intermediate Similarity 0.7232 NPC7393
Intermediate Similarity 0.7215 NPC471314
Intermediate Similarity 0.7215 NPC471315
Intermediate Similarity 0.7211 NPC318805
Intermediate Similarity 0.7211 NPC41122
Intermediate Similarity 0.7204 NPC257269
Intermediate Similarity 0.7204 NPC230276
Intermediate Similarity 0.7184 NPC127402
Intermediate Similarity 0.7166 NPC476202
Intermediate Similarity 0.7143 NPC66573
Intermediate Similarity 0.7143 NPC477837
Intermediate Similarity 0.7143 NPC477838
Intermediate Similarity 0.7135 NPC85381
Intermediate Similarity 0.7134 NPC263835
Intermediate Similarity 0.7112 NPC195538
Intermediate Similarity 0.709 NPC249996
Intermediate Similarity 0.707 NPC43275
Intermediate Similarity 0.7068 NPC206900
Intermediate Similarity 0.7062 NPC107602
Intermediate Similarity 0.7049 NPC204908
Intermediate Similarity 0.7049 NPC83198
Intermediate Similarity 0.7048 NPC469610
Intermediate Similarity 0.7039 NPC22014
Intermediate Similarity 0.7039 NPC216816
Intermediate Similarity 0.7033 NPC476573
Intermediate Similarity 0.7033 NPC81247
Intermediate Similarity 0.7033 NPC35627
Intermediate Similarity 0.703 NPC8899
Intermediate Similarity 0.7025 NPC160120
Intermediate Similarity 0.7025 NPC471308
Intermediate Similarity 0.7025 NPC289330
Intermediate Similarity 0.7025 NPC17388
Intermediate Similarity 0.7025 NPC53596
Intermediate Similarity 0.7017 NPC233650
Intermediate Similarity 0.7006 NPC212699
Intermediate Similarity 0.7006 NPC207675
Intermediate Similarity 0.7 NPC16357
Intermediate Similarity 0.7 NPC95426
Intermediate Similarity 0.7 NPC302245
Intermediate Similarity 0.7 NPC27410
Intermediate Similarity 0.7 NPC470925
Intermediate Similarity 0.7 NPC166014
Intermediate Similarity 0.7 NPC188997
Remote Similarity 0.6988 NPC469611
Remote Similarity 0.6984 NPC30779
Remote Similarity 0.6978 NPC134858
Remote Similarity 0.6978 NPC470936
Remote Similarity 0.6975 NPC29477
Remote Similarity 0.6975 NPC76119
Remote Similarity 0.6975 NPC4286
Remote Similarity 0.6973 NPC475215
Remote Similarity 0.6973 NPC108434
Remote Similarity 0.6971 NPC207824
Remote Similarity 0.6971 NPC60538
Remote Similarity 0.6968 NPC474507
Remote Similarity 0.6963 NPC139783
Remote Similarity 0.6963 NPC65312
Remote Similarity 0.6961 NPC179250
Remote Similarity 0.6961 NPC50380
Remote Similarity 0.6959 NPC478092
Remote Similarity 0.6959 NPC30182
Remote Similarity 0.6959 NPC478091
Remote Similarity 0.6959 NPC256124
Remote Similarity 0.6959 NPC473589
Remote Similarity 0.6957 NPC261992
Remote Similarity 0.6954 NPC115144
Remote Similarity 0.6954 NPC277857
Remote Similarity 0.6954 NPC476151
Remote Similarity 0.6949 NPC26601
Remote Similarity 0.6946 NPC218530
Remote Similarity 0.694 NPC250846
Remote Similarity 0.694 NPC268503
Remote Similarity 0.694 NPC240841
Remote Similarity 0.694 NPC256012
Remote Similarity 0.694 NPC317272
Remote Similarity 0.694 NPC42549
Remote Similarity 0.6936 NPC185838
Remote Similarity 0.6936 NPC313414
Remote Similarity 0.6935 NPC190783
Remote Similarity 0.6935 NPC232386
Remote Similarity 0.6935 NPC192135
Remote Similarity 0.6935 NPC66341
Remote Similarity 0.6935 NPC152680
Remote Similarity 0.6935 NPC477020
Remote Similarity 0.6935 NPC474051
Remote Similarity 0.6933 NPC301713
Remote Similarity 0.6931 NPC286119
Remote Similarity 0.6928 NPC214869
Remote Similarity 0.6927 NPC22115
Remote Similarity 0.6927 NPC275680
Remote Similarity 0.6927 NPC283207
Remote Similarity 0.6927 NPC126519
Remote Similarity 0.6927 NPC170503
Remote Similarity 0.6927 NPC203784
Remote Similarity 0.6923 NPC1229
Remote Similarity 0.6923 NPC324144
Remote Similarity 0.6919 NPC477562
Remote Similarity 0.6919 NPC26240
Remote Similarity 0.6919 NPC69712
Remote Similarity 0.6915 NPC260118
Remote Similarity 0.6914 NPC147390
Remote Similarity 0.6914 NPC246587
Remote Similarity 0.6914 NPC95733
Remote Similarity 0.6914 NPC471032
Remote Similarity 0.6914 NPC476571
Remote Similarity 0.6914 NPC470935
Remote Similarity 0.6914 NPC135538
Remote Similarity 0.6914 NPC62101
Remote Similarity 0.6914 NPC24233
Remote Similarity 0.6914 NPC428
Remote Similarity 0.691 NPC56635
Remote Similarity 0.691 NPC2295
Remote Similarity 0.691 NPC477564
Remote Similarity 0.6907 NPC478093
Remote Similarity 0.6905 NPC473107
Remote Similarity 0.6902 NPC12053
Remote Similarity 0.6902 NPC145832
Remote Similarity 0.6902 NPC150879
Remote Similarity 0.6902 NPC117188
Remote Similarity 0.6902 NPC306555
Remote Similarity 0.6902 NPC205421
Remote Similarity 0.6902 NPC474931
Remote Similarity 0.6902 NPC81218
Remote Similarity 0.6902 NPC158376
Remote Similarity 0.6902 NPC210140
Remote Similarity 0.6897 NPC132771
Remote Similarity 0.6895 NPC311973
Remote Similarity 0.6895 NPC251735
Remote Similarity 0.6895 NPC185639
Remote Similarity 0.6895 NPC223690
Remote Similarity 0.6895 NPC229373
Remote Similarity 0.6895 NPC181796
Remote Similarity 0.6895 NPC279228
Remote Similarity 0.6895 NPC104196
Remote Similarity 0.6895 NPC285931
Remote Similarity 0.6895 NPC42663
Remote Similarity 0.6895 NPC328155
Remote Similarity 0.6895 NPC271013
Remote Similarity 0.6895 NPC217748
Remote Similarity 0.6895 NPC8836
Remote Similarity 0.6895 NPC54654
Remote Similarity 0.6895 NPC258657
Remote Similarity 0.6895 NPC15414
Remote Similarity 0.6895 NPC7715
Remote Similarity 0.6895 NPC222661
Remote Similarity 0.6895 NPC290582
Remote Similarity 0.6895 NPC290005
Remote Similarity 0.6895 NPC49075
Remote Similarity 0.6895 NPC239824
Remote Similarity 0.6895 NPC90998
Remote Similarity 0.6895 NPC182052
Remote Similarity 0.6893 NPC476568
Remote Similarity 0.6893 NPC76213
Remote Similarity 0.6893 NPC277669
Remote Similarity 0.6893 NPC326316
Remote Similarity 0.6893 NPC81733
Remote Similarity 0.6891 NPC175890
Remote Similarity 0.6891 NPC48490
Remote Similarity 0.6891 NPC11296

Drug Structure

External Identifiers

TTD   DNC000235
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   445561
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  665.23
ALogP  -3.5671
MLogP  3.11
XLogP  3.179
HDA  12
HBD  8
Rotatable Bonds  19
TPSA  253.17
RO5 Violation  3