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Ligand

NameCHEMBL3889833
Molecular formulaC25H30F3N5O2
IUPAC nameN-[1-[4-(1-hydroxycyclopent-3-en-1-yl)cyclohexyl]azetidin-3-yl]-2-[[6-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
Molecular weight489.543
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.8
SynonymsUS9062048, 28
BDBM163336
SCHEMBL12052212
SCHEMBL15214674
Inchi KeyKMQAFUVIYPPUCI-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30F3N5O2/c26-25(27,28)17-5-8-21-20(11-17)23(31-15-30-21)29-12-22(34)32-18-13-33(14-18)19-6-3-16(4-7-19)24(35)9-1-2-10-24/h1-2,5,8,11,15-16,18-19,35H,3-4,6-7,9-10,12-14H2,(H,32,34)(H,29,30,31)
PubChem CID70642033
ChEMBLCHEMBL3889833
IUPHARN/A
BindingDBN/A
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
540427C-C chemokine receptor-like 2O00421CCRL2Homo sapiens (Human)344

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