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Ligand

NameCHEMBL1778514
Molecular formulaC23H22ClFN2O3
IUPAC name2-[(7R)-7-[[2-(3-chloro-4-fluorophenyl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
Molecular weight428.888
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.7
Synonyms(R)-2-(7-(2-(3-chloro-4-fluorophenyl)-N-methylacetamido)-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)acetic acid
BDBM50344176
SCHEMBL2189709
{(7R)-7-[[(3-chloro-4-fluorophenyl)acetyl](methyl)amino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl}acetic acid
ASVRWAPQHQZMQU-OAHLLOKOSA-N
Inchi KeyASVRWAPQHQZMQU-OAHLLOKOSA-N
Inchi IDInChI=1S/C23H22ClFN2O3/c1-26(22(28)11-14-6-8-19(25)18(24)10-14)15-7-9-21-17(12-23(29)30)16-4-2-3-5-20(16)27(21)13-15/h2-6,8,10,15H,7,9,11-13H2,1H3,(H,29,30)/t15-/m1/s1
PubChem CID54587621
ChEMBLCHEMBL1778514
IUPHARN/A
BindingDB50344176
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
13578Prostaglandin D2 receptor 2Q9Y5Y4PTGDR2Homo sapiens (Human)395

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