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Drug Details

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Name:CHEMBL57269
PubChem ID:10699998
Pathway:-
InChI:InChI=1S/C36H36N6O8S/c1-4-18-42(31-16-12-24-19-30-28(20-27(24)31)35(46)39-22(3)38-30)25-13-10-23(11-14-25)34(45)40-29(36(47)48)15-17-32(43)37-21(2)33(44)41-51(49,50)26-8-6-5-7-9-26/h1,5-11,13-14,19-21,29,31H,12,15-18H2,2-3H3,(H,37,43)(H,40,45)(H,41,44)(H,47,48)(H,38,39,46)/t21-,29+,31?/m1/s1
SMILES:C#CCN(C1CCc2c1cc1c(=O)nc([nH]c1c2)C)c1ccc(cc1)C(=O)N[C@H](C(=O)O)CCC(=O)N[C@@H](C(=O)NS(=O)(=O)c1ccccc1)C

Properties:
Formula:C36H36N6O8SAtoms:51
Molecular Weight:712.771Rotatable Bonds:16
H-bond Acceptors:13H-bond Donors:5
logP:4.5851
Targets:
NameUniprot IDSourceReferencesInteraction
Thymidylate synthaseTYSY_LACCABindingDB-shows
Synonyms:
CHEBI:188838
CHEMBL57269
CID 10699998
CID10699998