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Ligand

NameCHEMBL145587
Molecular formulaC30H38F2N4O3
IUPAC namemethyl 4-(3,4-difluorophenyl)-3-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-2,6-dimethyl-4H-pyrimidine-5-carboxylate
Molecular weight540.656
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50082873
6-(3,4-Difluoro-phenyl)-1-{5-[4-(2-methoxy-phenyl)-piperazin-1-yl]-pentyl}-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester
1-[5-[4-(2-Methoxyphenyl)-1-piperazinyl]pentyl]-2,4-dimethyl-6-(3,4-difluorophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
Inchi KeyAOIKUDXNCODUKV-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H38F2N4O3/c1-21-28(30(37)39-4)29(23-12-13-24(31)25(32)20-23)36(22(2)33-21)15-9-5-8-14-34-16-18-35(19-17-34)26-10-6-7-11-27(26)38-3/h6-7,10-13,20,29H,5,8-9,14-19H2,1-4H3
PubChem CID10650129
ChEMBLCHEMBL145587
IUPHARN/A
BindingDB50082873
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 3
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
10267Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
10266Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
10265Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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