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Ligand

NameCHEMBL112054
Molecular formulaC26H36N4O2
IUPAC nameN-[(2R)-1-(dipentylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1H-pyrrole-2-carboxamide
Molecular weight436.6
Hydrogen bond acceptor2
Hydrogen bond donor3
XlogP5.4
Synonyms(R)-1H-Pyrrole-2-carboxylic acid [1-dipentylcarbamoyl-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50008635
(R)-2-[(1H-Pyrrol-2-yl)carbonylamino]-3-(1H-indol-3-yl)-N,N-dipentylpropanamide
Inchi KeyBYRJLHZCBZABOV-XMMPIXPASA-N
Inchi IDInChI=1S/C26H36N4O2/c1-3-5-9-16-30(17-10-6-4-2)26(32)24(29-25(31)23-14-11-15-27-23)18-20-19-28-22-13-8-7-12-21(20)22/h7-8,11-15,19,24,27-28H,3-6,9-10,16-18H2,1-2H3,(H,29,31)/t24-/m1/s1
PubChem CID15104603
ChEMBLCHEMBL112054
IUPHARN/A
BindingDB50008635
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
36018Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
36017Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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