Structure

InChI Key DJDFFEBSKJCGHC-UHFFFAOYSA-N
Smiles Cl.c1ccc2c(CC3=NCCN3)cccc2c1
InChI
InChI=1S/C14H14N2.ClH/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;/h1-7H,8-10H2,(H,15,16);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H15ClN2
Molecular Weight 246.74
AlogP 2.38
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 24.39
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 16.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha agonist AGONIST PubMed PubMed PubMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 95.85-100.66

Target Conservation

Protein: Adrenergic receptor alpha

Description: Alpha-2A adrenergic receptor

Organism : Homo sapiens

P08913 ENSG00000150594
Protein: Adrenergic receptor alpha

Description: Alpha-2B adrenergic receptor

Organism : Homo sapiens

P18089 ENSG00000274286
Protein: Adrenergic receptor alpha

Description: Alpha-2C adrenergic receptor

Organism : Homo sapiens

P18825 ENSG00000184160
Protein: Adrenergic receptor alpha

Description: Alpha-1D adrenergic receptor

Organism : Homo sapiens

P25100 ENSG00000171873
Protein: Adrenergic receptor alpha

Description: Alpha-1A adrenergic receptor

Organism : Homo sapiens

P35348 ENSG00000120907
Protein: Adrenergic receptor alpha

Description: Alpha-1B adrenergic receptor

Organism : Homo sapiens

P35368 ENSG00000170214

Cross References

Resources Reference
ChEBI 7470
ChEMBL CHEMBL1706
FDA SRS MZ1131787D
Guide to Pharmacology 7310
KEGG C07898
PubChem 11079
SureChEMBL SCHEMBL24153
ZINC ZINC00125006