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Ligand

NameCHEMBL3674016
Molecular formulaC22H19ClFN3O3
IUPAC name2-[3-chloro-7-[(5-fluoro-1,3-benzoxazol-2-yl)-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight427.86
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.6
SynonymsUS9096595, 31
BDBM173228
SCHEMBL13279318
Inchi KeyAUMFPDGJYATMNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H19ClFN3O3/c1-26(22-25-17-9-13(24)3-7-20(17)30-22)14-4-6-18-16(10-21(28)29)15-5-2-12(23)8-19(15)27(18)11-14/h2-3,5,7-9,14H,4,6,10-11H2,1H3,(H,28,29)
PubChem CID66571711
ChEMBLCHEMBL3674016
IUPHARN/A
BindingDB173228
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
464686Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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