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Ligand

NameMLS000417923
Molecular formulaC24H22N4O2S
IUPAC nameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
Molecular weight430.526
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP3.9
SynonymsAKOS034029918
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
HMS2558K09
ZINC3410915
851892-90-5
[ Show all ]
Inchi KeyAXGVOYOTSMSGIX-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H22N4O2S/c1-15-6-8-16(9-7-15)20-14-31-24(26-20)27-22(29)17-10-11-18-19(13-17)25-21-5-3-2-4-12-28(21)23(18)30/h6-11,13-14H,2-5,12H2,1H3,(H,26,27,29)
PubChem CID2529822
ChEMBLCHEMBL1568593
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: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
16695Lutropin-choriogonadotropic hormone receptorP22888LHCGRHomo sapiens (Human)699
464944Parathyroid hormone/parathyroid hormone-related peptide receptorQ03431PTH1RHomo sapiens (Human)593
16694Thyrotropin receptorP16473TSHRHomo sapiens (Human)764

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