Structure

InChI Key GNUCGROXDZMCJI-UHFFFAOYSA-N
Smiles Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1.Cl.Cl
InChI
InChI=1S/C17H22N4O.2ClH/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21;;/h2-6,13H,7-12H2,1H3,(H,18,20);2*1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H24Cl2N4O
Molecular Weight 371.31
AlogP 2.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 50.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539
Protein: Monoamine oxidase A

Description: Amine oxidase [flavin-containing] A

Organism : Homo sapiens

P21397 ENSG00000189221
Protein: Acetylcholinesterase

Description: Acetylcholinesterase

Organism : Homo sapiens

P22303 ENSG00000087085
Protein: Serotonin 2 (5-HT2) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468
Protein: Serotonin 2 (5-HT2) receptor

Description: 5-hydroxytryptamine receptor 2C

Organism : Homo sapiens

P28335 ENSG00000147246
Protein: Serotonin 2 (5-HT2) receptor

Description: 5-hydroxytryptamine receptor 2B

Organism : Homo sapiens

P41595 ENSG00000135914

Cross References

Resources Reference
ChEBI 51040
ChEMBL CHEMBL1364551
FDA SRS 82Y7NT6DFT
PubChem 33254
SureChEMBL SCHEMBL124092