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Ligand

NameCHEMBL142718
Molecular formulaC28H33F2N7O4
IUPAC name3-N-[3-[4-(2-carbamoylphenyl)piperazin-1-yl]propyl]-4-(2,4-difluorophenyl)-6-ethyl-2-oxo-1,4-dihydropyrimidine-3,5-dicarboxamide
Molecular weight569.614
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP1.9
SynonymsN-[3-[4-(2-Carbamoylphenyl)-1-piperazinyl]propyl]-2-oxo-4-ethyl-6-(2,4-difluorophenyl)-3,6-dihydropyrimidine-1,5(2H)-dicarboxamide
6-(2,4-Difluoro-phenyl)-4-ethyl-2-oxo-3,6-dihydro-2H-pyrimidine-1,5-dicarboxylic acid 5-amide 1-({3-[4-(2-carbamoyl-phenyl)-piperazin-1-yl]-propyl}-amide)
BDBM50082844
Inchi KeyAVZNXYFYVNZTRE-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H33F2N7O4/c1-2-21-23(26(32)39)24(18-9-8-17(29)16-20(18)30)37(28(41)34-21)27(40)33-10-5-11-35-12-14-36(15-13-35)22-7-4-3-6-19(22)25(31)38/h3-4,6-9,16,24H,2,5,10-15H2,1H3,(H2,31,38)(H2,32,39)(H,33,40)(H,34,41)
PubChem CID10841851
ChEMBLCHEMBL142718
IUPHARN/A
BindingDB50082844
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
15792Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
15791Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
15793Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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