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Drug Details

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Name:CHEMBL301895
PubChem ID:11801983
Pathway:-
InChI:InChI=1S/C31H33N5O9/c1-4-13-36(16-20-15-22-25(14-17(20)2)32-18(3)33-29(22)41)21-7-5-19(6-8-21)28(40)35-24(31(44)45)9-11-26(37)34-23(30(42)43)10-12-27(38)39/h1,5-8,14-15,23-24H,9-13,16H2,2-3H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)(H,44,45)(H,32,33,41)/t23-,24+/m1/s1
SMILES:C#CCN(c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](C(=O)O)CCC(=O)O)Cc1cc2c(=O)nc([nH]c2cc1C)C

Properties:
Formula:C31H33N5O9Atoms:45
Molecular Weight:619.622Rotatable Bonds:17
H-bond Acceptors:13H-bond Donors:6
logP:2.3589
Targets:
NameUniprot IDSourceReferencesInteraction
Thymidylate synthaseTYSY_LACCABindingDB-shows
Synonyms:
CHEBI:189828
CHEMBL301895
CID 11801983
CID11801983