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Ligand

NameCHEMBL3235711
Molecular formulaC22H31BrN4S
IUPAC name6-N-(2-bromo-4-propan-2-ylphenyl)-4-N-(cyclopropylmethyl)-2-methyl-5-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
Molecular weight463.482
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.9
SynonymsN/A
Inchi KeyAJHCFDFUDOPTGE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31BrN4S/c1-6-11-27(13-16-7-8-16)22-20(28-5)21(24-15(4)25-22)26-19-10-9-17(14(2)3)12-18(19)23/h9-10,12,14,16H,6-8,11,13H2,1-5H3,(H,24,25,26)
PubChem CID90670806
ChEMBLCHEMBL3235711
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
6910Corticotropin-releasing factor receptor 1P34998CRHR1Homo sapiens (Human)444

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