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Ligand

NameCHEMBL208900
Molecular formulaC27H25N3O2
IUPAC nameN-phenyl-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide
Molecular weight423.516
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL6364277
Inchi KeyAMPSKISTSYREGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N3O2/c31-26(29-25-10-2-1-3-11-25)20-22-14-17-30(18-15-22)27(32)23-8-6-7-21(19-23)12-13-24-9-4-5-16-28-24/h1-11,16,19,22H,14-15,17-18,20H2,(H,29,31)
PubChem CID9845189
ChEMBLCHEMBL208900
IUPHARN/A
BindingDBN/A
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
9141Substance-K receptorP21452TACR2Homo sapiens (Human)398
9142Substance-P receptorP25103TACR1Homo sapiens (Human)407

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