PERHEXILINE

Search structure
Synonyms:
Status: Approved (1974) Withdrawn (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08EX02
UNII: KU65374X44

Structure
InChI Key CYXKNKQEMFBLER-UHFFFAOYSA-N
Smile C1CCC(C(CC2CCCCN2)C2CCCCC2)CC1
InChI
InChI=1S/C19H35N/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18/h16-20H,1-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H35N
Molecular Weight 277.5
AlogP 5.3
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 940.8 - - -
Enzyme Hydrolase
- - - - 8.005
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase EGFR family
- 1485.2 - - -
Enzyme Kinase Protein Kinase TK protein kinase group Tyrosine protein kinase Src family
- 4064 - - -
Enzyme Transferase
- 77000-148000 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 7762.47-7800 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1093.2 - 500.9 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - 199.53 - -
Membrane receptor
- 1093.2 199.53 1092.4 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3294.2 - 3267 -
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 14360 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cardiomyopathy, Hypertrophic 3 D002312 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Heart Failure, Diastolic 2 D054144 ClinicalTrials
Diabetic Cardiomyopathies 1 D058065 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 6621-47-2
ChEBI 35553
ChEMBL CHEMBL75880
DrugBank DB01074
DrugCentral 2106
EPA CompTox DTXSID7023439
FDA SRS KU65374X44
Human Metabolome Database HMDB15207
PharmGKB PA130150436
PubChem 4746
SureChEMBL SCHEMBL114894
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