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Drug Details

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Name:CHEMBL200778
PubChem ID:11590539
Pathway:Show KEGG pathways
InChI:InChI=1S/C18H18ClFN6O3S/c1-21-14-10-15(25-18(19)24-14)26(7-23-10)17-12(28)11(27)13(30-17)16(29)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,22,29)(H,21,24,25)/t11-,12+,13-,17+/m0/s1
SMILES:CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@@H]([C@H]([C@H]1O)O)C(=O)NCc1cccc(c1)F

Properties:
Formula:C18H18ClFN6O3SAtoms:30
Molecular Weight:452.89Rotatable Bonds:6
H-bond Acceptors:10H-bond Donors:4
logP:1.7766
Targets:
NameUniprot IDSourceReferencesInteraction
Adenosine A3 receptorAA3R_HUMANBindingDB-shows
Synonyms:
CHEBI:435212
CHEMBL200778
CID 11590539
CID11590539