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Ligand

NameCHEMBL283914
Molecular formulaC35H38Cl2N4O6
IUPAC name(3S)-3-[[5-(8-azaspiro[4.5]decan-8-yl)-4-[(3,5-dichlorobenzoyl)amino]-5-oxopentanoyl]amino]-4-(naphthalen-1-ylamino)-4-oxobutanoic acid
Molecular weight681.611
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP5.9
SynonymsBDBM50048788
(S)-3-[5-(8-Aza-spiro[4.5]dec-8-yl)-4-(3,5-dichloro-benzoylamino)-5-oxo-pentanoylamino]-N-naphthalen-1-yl-succinamic acid
Inchi KeyAHQATBOIVCZNNN-XIJSCUBXSA-N
Inchi IDInChI=1S/C35H38Cl2N4O6/c36-24-18-23(19-25(37)20-24)32(45)40-28(34(47)41-16-14-35(15-17-41)12-3-4-13-35)10-11-30(42)38-29(21-31(43)44)33(46)39-27-9-5-7-22-6-1-2-8-26(22)27/h1-2,5-9,18-20,28-29H,3-4,10-17,21H2,(H,38,42)(H,39,46)(H,40,45)(H,43,44)/t28?,29-/m0/s1
PubChem CID44280131
ChEMBLCHEMBL283914
IUPHARN/A
BindingDB50048788
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
5798Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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