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Ligand

NameCHEMBL3758721
Molecular formulaC20H27ClN4O3
IUPAC name4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-(2-pyrrol-1-ylethyl)piperidin-4-yl]benzamide
Molecular weight406.911
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.6
SynonymsBDBM50142917
SCHEMBL3317846
Inchi KeyBESRCGRINPRVRC-PKOBYXMFSA-N
Inchi IDInChI=1S/C20H27ClN4O3/c1-27-18-12-16(22)15(21)11-14(18)20(26)23-17-5-8-25(13-19(17)28-2)10-9-24-6-3-4-7-24/h3-4,6-7,11-12,17,19H,5,8-10,13,22H2,1-2H3,(H,23,26)/t17-,19+/m0/s1
PubChem CID68593774
ChEMBLCHEMBL3758721
IUPHARN/A
BindingDB50142917
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
5221005-hydroxytryptamine receptor 4Q13639HTR4Homo sapiens (Human)388

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