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Ligand

NameCHEMBL516788
Molecular formulaC23H27N3O4
IUPAC namemethyl 2-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methylcarbamoylamino]acetate
Molecular weight409.486
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.9
Synonyms1-(4-[N-(2-Methoxy-2-oxoethylcarbamoyl)aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
BDBM50247019
1-(4-[N-(2-Methoxy-2-oxoethylcarbamoyl]aminomethyl]-3-methylbenzoyl)-2,3,4,5-tetrahydro-1H-1-benzazepine
BORVLTYUPGZZMD-UHFFFAOYSA-N
SCHEMBL5267294
Inchi KeyBORVLTYUPGZZMD-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H27N3O4/c1-16-13-18(10-11-19(16)14-24-23(29)25-15-21(27)30-2)22(28)26-12-6-5-8-17-7-3-4-9-20(17)26/h3-4,7,9-11,13H,5-6,8,12,14-15H2,1-2H3,(H2,24,25,29)
PubChem CID15896094
ChEMBLCHEMBL516788
IUPHARN/A
BindingDB50247019
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
29075Vasopressin V2 receptorP30518AVPR2Homo sapiens (Human)371

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