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Ligand

NameCHEMBL595981
Molecular formulaC25H32ClN3O5S
IUPAC nameethyl 2-amino-6-[(2R)-3-(4-chlorophenyl)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
Molecular weight522.057
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.9
SynonymsBDBM50304471
(R)-Ethyl 2-amino-6-(2-(tert-butoxycarbonyl(methyl)-amino)-3-(4-chlorophenyl)propanoyl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
Inchi KeyAHYKJBMMFFRXTG-GOSISDBHSA-N
Inchi IDInChI=1S/C25H32ClN3O5S/c1-6-33-23(31)20-17-11-12-29(14-19(17)35-21(20)27)22(30)18(13-15-7-9-16(26)10-8-15)28(5)24(32)34-25(2,3)4/h7-10,18H,6,11-14,27H2,1-5H3/t18-/m1/s1
PubChem CID46227373
ChEMBLCHEMBL595981
IUPHARN/A
BindingDB50304471
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
5989Adenosine receptor A1P30542ADORA1Homo sapiens (Human)326

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