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Ligand

NameCHEMBL454375
Molecular formulaC27H34N4O5
IUPAC name2-(3-methylbutylamino)-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Molecular weight494.592
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM27980
trisubstituted pyrimidine analogue, 6a
2-[(3-methylbutyl)amino]-N-(2-phenoxyethyl)-4-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
Inchi KeyBFECPQYSONNCEZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H34N4O5/c1-18(2)11-12-29-27-30-17-21(26(32)28-13-14-36-20-9-7-6-8-10-20)24(31-27)19-15-22(33-3)25(35-5)23(16-19)34-4/h6-10,15-18H,11-14H2,1-5H3,(H,28,32)(H,29,30,31)
PubChem CID25218699
ChEMBLCHEMBL454375
IUPHARN/A
BindingDB27980
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
22226Extracellular calcium-sensing receptorP41180CASRHomo sapiens (Human)1078

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