Structure

InChI Key CVKUMNRCIJMVAR-UHFFFAOYSA-N
Smiles CS(=O)(=O)O.Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1
InChI
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H20ClNO6S
Molecular Weight 401.87
AlogP 2.73
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 1.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D1 receptor agonist AGONIST DailyMed
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Rattus norvegicus
48-57 - - - -

Target Conservation

Protein: Dopamine D1 receptor

Description: D(1A) dopamine receptor

Organism : Homo sapiens

P21728 ENSG00000184845

Cross References

Resources Reference
ChEBI 5003
ChEMBL CHEMBL1026
FDA SRS HA3R0MY016
SureChEMBL SCHEMBL41213