CHLORCYCLIZINE

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Synonyms
Status
Molecule Category Free-form
ATC R06AE04
UNII M26C4IP44P
EPA CompTox DTXSID9048011

Structure

InChI Key WFNAKBGANONZEQ-UHFFFAOYSA-N
Smiles CN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1
InChI
InChI=1S/C18H21ClN2/c1-20-11-13-21(14-12-20)18(15-5-3-2-4-6-15)16-7-9-17(19)10-8-16/h2-10,18H,11-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21ClN2
Molecular Weight 300.83
AlogP 3.68
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 6.48
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - - 16-99
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Hepatitis C virus
67.56 - - - 24.9
Hepatitis C virus JFH-1
440 - - - -
Hepatitis C virus subtype 1a
- - - - 92.5
Hepatitis C virus subtype 1b
- - - - 120
Hepatitis C virus subtype 2a
- - - - 102
Homo sapiens
- - - - 16-99
Murine leukemia virus
- - - - 124
Vesicular stomatitis virus
- - - - 105

Related Entries

Cross References

Resources Reference
ChEBI 94402
ChEMBL CHEMBL22150
DrugBank DB08936
DrugCentral 593
FDA SRS M26C4IP44P
Human Metabolome Database HMDB0240224
PubChem 2710
SureChEMBL SCHEMBL4383
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