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Ligand

NameCHEMBL30592
Molecular formulaC30H35Cl2N3O5
IUPAC name(2S)-2-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-3-phenylpropanoic acid
Molecular weight588.526
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP5.8
SynonymsBDBM50048764
(S)-2-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-3-phenyl-propionic acid
Inchi KeyBIFUXSNCFINSQX-BBMPLOMVSA-N
Inchi IDInChI=1S/C30H35Cl2N3O5/c31-22-17-21(18-23(32)19-22)27(37)34-24(28(38)35-14-12-30(13-15-35)10-4-5-11-30)8-9-26(36)33-25(29(39)40)16-20-6-2-1-3-7-20/h1-3,6-7,17-19,24-25H,4-5,8-16H2,(H,33,36)(H,34,37)(H,39,40)/t24?,25-/m0/s1
PubChem CID44280110
ChEMBLCHEMBL30592
IUPHARN/A
BindingDB50048764
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24397Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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