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Ligand

NameSCHEMBL3787910
Molecular formulaC28H29N5O2
IUPAC nameN-(1-pyridin-2-ylcyclopropyl)-7-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]-1-benzofuran-2-carboxamide
Molecular weight467.573
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.6
SynonymsUS8859534, 27
CHEMBL3647285
BDBM136341
Inchi KeyKHASMTXBVQUBQG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N5O2/c34-27(31-28(11-12-28)25-9-2-4-14-30-25)24-20-21-6-5-8-23(26(21)35-24)33-18-16-32(17-19-33)15-10-22-7-1-3-13-29-22/h1-9,13-14,20H,10-12,15-19H2,(H,31,34)
PubChem CID59636769
ChEMBLCHEMBL3647285
IUPHARN/A
BindingDB136341
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
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GLASS IDNameUniProtGeneSpeciesLength
1690015-hydroxytryptamine receptor 1BP46636HTR1BCricetulus griseus (Chinese hamster)386

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