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Ligand

NameCHEMBL287564
Molecular formulaC34H48Cl2N4O6
IUPAC name(4R)-4-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-5-[(4,4-dimethylcyclohexyl)amino]-5-oxopentanoic acid
Molecular weight679.68
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.9
Synonyms(R)-4-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-4-(4,4-dimethyl-cyclohexylcarbamoyl)-butyric acid
BDBM50048759
Inchi KeyAUROWYJLELKNKL-AVJYQCBHSA-N
Inchi IDInChI=1S/C34H48Cl2N4O6/c1-33(2)13-9-25(10-14-33)37-31(45)26(6-8-29(42)43)38-28(41)7-5-27(39-30(44)22-19-23(35)21-24(36)20-22)32(46)40-17-15-34(16-18-40)11-3-4-12-34/h19-21,25-27H,3-18H2,1-2H3,(H,37,45)(H,38,41)(H,39,44)(H,42,43)/t26-,27?/m1/s1
PubChem CID44280992
ChEMBLCHEMBL287564
IUPHARN/A
BindingDB50048759
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
14927Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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