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Ligand

NameCHEMBL249034
Molecular formulaC17H19ClN4O2
IUPAC nameN-[(4-chlorophenyl)methyl]-2-nitro-5-piperazin-1-ylaniline
Molecular weight346.815
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.9
SynonymsAC1MFEYE
Oprea1_273228
SCHEMBL2482884
MolPort-001-000-948
ZINC4608369
[ Show all ]
Inchi KeyAARDSTBEQZRSQU-UHFFFAOYSA-N
Inchi IDInChI=1S/C17H19ClN4O2/c18-14-3-1-13(2-4-14)12-20-16-11-15(5-6-17(16)22(23)24)21-9-7-19-8-10-21/h1-6,11,19-20H,7-10,12H2
PubChem CID2870667
ChEMBLCHEMBL249034
IUPHARN/A
BindingDB50223292
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
4585-hydroxytryptamine receptor 6P50406HTR6Homo sapiens (Human)440

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