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Ligand

NameCHEMBL7985
Molecular formulaC19H24N2O5S
IUPAC namemethyl 2-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5-(thiophene-2-carbonylamino)benzoate
Molecular weight392.47
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP2.3
SynonymsN/A
Inchi KeyFWZXAMOOIOVRIH-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H24N2O5S/c1-12(2)20-10-14(22)11-26-16-7-6-13(9-15(16)19(24)25-3)21-18(23)17-5-4-8-27-17/h4-9,12,14,20,22H,10-11H2,1-3H3,(H,21,23)
PubChem CID13550353
ChEMBLCHEMBL7985
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
89357Beta-1 adrenergic receptorP08588ADRB1Homo sapiens (Human)477
89356Beta-2 adrenergic receptorP54833ADRB2Canis lupus familiaris (Dog)415

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