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Ligand

NameCHEMBL107529
Molecular formulaC19H21N3O
IUPAC name5-[1-(1-benzylpiperidin-4-yl)pyrrol-3-yl]-1,3-oxazole
Molecular weight307.397
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP2.7
Synonyms1-Benzyl-4-(3-oxazol-5-yl-pyrrol-1-yl)-piperidine
D03GES
BDBM50082170
1-Benzyl-4-[3-(5-oxazolyl)-1H-pyrrole-1-yl]piperidine
Inchi KeyASGPPKHUWWRTLM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H21N3O/c1-2-4-16(5-3-1)13-21-9-7-18(8-10-21)22-11-6-17(14-22)19-12-20-15-23-19/h1-6,11-12,14-15,18H,7-10,13H2
PubChem CID9995378
ChEMBLCHEMBL107529
IUPHARN/A
BindingDB50082170
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
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GLASS IDNameUniProtGeneSpeciesLength
13130D(1A) dopamine receptorQ95136DRD1Bos taurus (Bovine)446
13128D(2) dopamine receptorP14416DRD2Homo sapiens (Human)443
13129D(3) dopamine receptorP35462DRD3Homo sapiens (Human)400
13127D(4) dopamine receptorP21917DRD4Homo sapiens (Human)467

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