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Ligand

Name913064-47-8
Molecular formulaC29H29ClN4O2
IUPAC name7-chloro-2-[3-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]-3H-isoindol-1-one
Molecular weight501.027
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP4.4
SynonymsELN 441958
ELN-441958
UNII-G62X909Y89
ELN441958
CHEMBL1254945
[ Show all ]
Inchi KeyARYQHSWJGHCGJS-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H29ClN4O2/c30-25-6-2-4-22-20-34(28(36)26(22)25)24-5-1-3-21(19-24)27(35)33-17-11-29(12-18-33)9-15-32(16-10-29)23-7-13-31-14-8-23/h1-8,13-14,19H,9-12,15-18,20H2
PubChem CID11848206
ChEMBLCHEMBL1254945
IUPHARN/A
BindingDB50326710
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
12902B1 bradykinin receptorP46663BDKRB1Homo sapiens (Human)353

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