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Ligand

NameCHEMBL1644256
Molecular formulaC23H22N4O3
IUPAC name2-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-[3-(1,3-oxazol-5-yl)phenyl]pyrimidin-4-amine
Molecular weight402.454
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.5
SynonymsSCHEMBL4501735
[2-methoxy-6-(3-oxazol-5-yl-phenyl)-pyrimidin-4-yl]-[2-(4-methoxy-phenyl)-ethyl]-amine
BDBM50417774
BPCFBUPFVULQSB-UHFFFAOYSA-N
Inchi KeyBPCFBUPFVULQSB-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N4O3/c1-28-19-8-6-16(7-9-19)10-11-25-22-13-20(26-23(27-22)29-2)17-4-3-5-18(12-17)21-14-24-15-30-21/h3-9,12-15H,10-11H2,1-2H3,(H,25,26,27)
PubChem CID53324534
ChEMBLCHEMBL1644256
IUPHARN/A
BindingDB50417774
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
29398Prostaglandin D2 receptorQ13258PTGDRHomo sapiens (Human)359

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