CHLOROPHENYLPIPERAZINE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII REY0CNO998
EPA CompTox DTXSID9045138

Structure

InChI Key VHFVKMTVMIZMIK-UHFFFAOYSA-N
Smiles Clc1cccc(N2CCNCC2)c1
InChI
InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13ClN2
Molecular Weight 196.68
AlogP 1.75
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 13.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor
- - - 62 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - - 236 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
7.2-290 - 100 4.4-352 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 271 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
7.2-290 - - 7.943-273 -
Mus musculus
- - - - 13.12
Rattus norvegicus
- - - 25-352 -

Cross References

Resources Reference
ChEBI 10588
ChEMBL CHEMBL478
DrugBank DB12110
FDA SRS REY0CNO998
Human Metabolome Database HMDB0061008
Guide to Pharmacology 142
KEGG C11738
SureChEMBL SCHEMBL48931
ZINC ZINC000000004285
CONTENTS