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Ligand

NameCHEMBL1593216
Molecular formulaC18H20ClN3O2S
IUPAC nameN-(3-chloro-4-methylphenyl)-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]propanamide
Molecular weight377.887
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.7
SynonymsAKOS002315827
AKOS016239271
D365-0101
HMS1856G10
MCULE-9741600273
[ Show all ]
Inchi KeyAGTATSZFZZNXDZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H20ClN3O2S/c1-10-7-8-12(9-14(10)19)20-16(23)11(2)25-18-21-15-6-4-3-5-13(15)17(24)22-18/h7-9,11H,3-6H2,1-2H3,(H,20,23)(H,21,22,24)
PubChem CID135546866
ChEMBLCHEMBL1593216
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
5186Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757

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