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Ligand

NameCHEMBL358313
Molecular formulaC31H39F2N5O3
IUPAC namemethyl 3-[(4S)-5-[4-(2-carbamoylphenyl)piperazin-1-yl]-4-methylpentyl]-4-(3,4-difluorophenyl)-2,6-dimethyl-4H-pyrimidine-5-carboxylate
Molecular weight567.682
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP3.7
Synonyms1-[(S)-4-Methyl-5-[4-(2-carbamoylphenyl)-1-piperazinyl]pentyl]-2,4-dimethyl-6-(3,4-difluorophenyl)-1,6-dihydropyrimidine-5-carboxylic acid methyl ester
BDBM50082884
1-{(S)-5-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-4-methyl-pentyl}-6-(3,4-difluoro-phenyl)-2,4-dimethyl-1,6-dihydro-pyrimidine-5-carboxylic acid methyl ester
Inchi KeyBLFCXMMGSUUVCS-OORIHMLWSA-N
Inchi IDInChI=1S/C31H39F2N5O3/c1-20(19-36-14-16-37(17-15-36)27-10-6-5-9-24(27)30(34)39)8-7-13-38-22(3)35-21(2)28(31(40)41-4)29(38)23-11-12-25(32)26(33)18-23/h5-6,9-12,18,20,29H,7-8,13-17,19H2,1-4H3,(H2,34,39)/t20-,29?/m0/s1
PubChem CID10816832
ChEMBLCHEMBL358313
IUPHARN/A
BindingDB50082884
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
26485Alpha-1A adrenergic receptorP35348ADRA1AHomo sapiens (Human)466
26483Alpha-1B adrenergic receptorP35368ADRA1BHomo sapiens (Human)520
26484Alpha-1D adrenergic receptorP25100ADRA1DHomo sapiens (Human)572

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