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Ligand

NameN-(5-chloro-2-methylphenyl)-4-(5,7-dioxo-5,7-dihydro-6H-pyrrolo[3,4-b]pyridin-6-yl)butanamide
Molecular formulaC18H16ClN3O3
IUPAC nameN-(5-chloro-2-methylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
Molecular weight357.794
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.3
SynonymsEU-0087804
ZINC03660505
MCULE-2397115238
AC1N9MWG
N-(5-chloro-2-methylphenyl)-4-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)butanamide
[ Show all ]
Inchi KeyBBPATBGFZKKVRQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H16ClN3O3/c1-11-6-7-12(19)10-14(11)21-15(23)5-3-9-22-17(24)13-4-2-8-20-16(13)18(22)25/h2,4,6-8,10H,3,5,9H2,1H3,(H,21,23)
PubChem CID4413149
ChEMBLCHEMBL1529453
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
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GLASS IDNameUniProtGeneSpeciesLength
19709Relaxin receptor 1Q9HBX9RXFP1Homo sapiens (Human)757
19711Relaxin receptor 2Q8WXD0RXFP2Homo sapiens (Human)754
19710Vasopressin V1b receptorP47901AVPR1BHomo sapiens (Human)424

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