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Ligand

NameCHEMBL434391
Molecular formulaC29H35N7O3
IUPAC nameN-[(2R)-1-[[(1R)-1-acetamido-2-(1H-indol-3-yl)ethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-aminopiperidine-4-carboxamide
Molecular weight529.645
Hydrogen bond acceptor5
Hydrogen bond donor7
XlogP1.6
Synonyms4-Amino-piperidine-4-carboxylic acid [1-[(R)-(R)-1-acetylamino-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-(1H-indol-3-yl)-ethyl]-amide
BDBM50125884
Inchi KeyBGIJOXWSDSYECN-CLJLJLNGSA-N
Inchi IDInChI=1S/C29H35N7O3/c1-18(37)34-26(15-20-17-33-24-9-5-3-7-22(20)24)36-27(38)25(35-28(39)29(30)10-12-31-13-11-29)14-19-16-32-23-8-4-2-6-21(19)23/h2-9,16-17,25-26,31-33H,10-15,30H2,1H3,(H,34,37)(H,35,39)(H,36,38)/t25-,26-/m1/s1
PubChem CID10984260
ChEMBLCHEMBL434391
IUPHARN/A
BindingDB50125884
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
23037Growth hormone secretagogue receptor type 1Q92847GHSRHomo sapiens (Human)366

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