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Ligand

NameCHEMBL2331646
Molecular formulaC22H29N5O2
IUPAC name2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
Molecular weight395.507
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.5
SynonymsBDBM50428095
Inchi KeyBXJNYBTXBRHAEU-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H29N5O2/c1-4-24-22-25-18-11-12-27(13-17(18)20(26-22)21(23)29)19(28)10-7-15-5-8-16(9-6-15)14(2)3/h5-6,8-9,14H,4,7,10-13H2,1-3H3,(H2,23,29)(H,24,25,26)
PubChem CID71541719
ChEMBLCHEMBL2331646
IUPHARN/A
BindingDB50428095
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
35136G-protein coupled bile acid receptor 1Q8TDU6GPBAR1Homo sapiens (Human)330
35137G-protein coupled bile acid receptor 1Q80SS6Gpbar1Mus musculus (Mouse)329
35138G-protein coupled bile acid receptor 1Q80T02Gpbar1Rattus norvegicus (Rat)329

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