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Ligand

NameMLS001218739
Molecular formulaC21H29N3O4
IUPAC nameethyl 4-[1-(2-methylbenzoyl)piperidine-4-carbonyl]piperazine-1-carboxylate
Molecular weight387.48
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP1.7
SynonymsBAS 05435078
MLS-0445335.0001
4-[1-(2-Methyl-benzoyl)-piperidine-4-carbonyl]-piperazine-1-carboxylic acid ethyl ester
CHEMBL1700182
SMR000612162
[ Show all ]
Inchi KeyTWYGQKIOVPITPN-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H29N3O4/c1-3-28-21(27)24-14-12-23(13-15-24)19(25)17-8-10-22(11-9-17)20(26)18-7-5-4-6-16(18)2/h4-7,17H,3,8-15H2,1-2H3
PubChem CID3152307
ChEMBLCHEMBL1700182
IUPHARN/A
BindingDB80050
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: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
329531Apelin receptorP35414APLNRHomo sapiens (Human)380
329529C-C chemokine receptor type 6P51684CCR6Homo sapiens (Human)374
329532C-X-C chemokine receptor type 5P32302CXCR5Homo sapiens (Human)372
329530Glucagon-like peptide 1 receptorP43220GLP1RHomo sapiens (Human)463

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