FENOLDOPAM

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C01CA19
UNII INU8H2KAWG
EPA CompTox DTXSID0043896

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16ClNO3
Molecular Weight 305.76
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

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 Adrenergic receptor
- - - 151.36 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
2.8-57 - 28 1.23-810 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Nucleotide-like receptor (family A GPCR) Adenosine receptor
- - - 35.48 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cercopithecidae
- - - 40 -
Homo sapiens
2.8-31.7 - 28 - -
Rattus norvegicus
18 - - 1.23-13.18 -

Cross References

Resources Reference
ChEBI 5002
ChEMBL CHEMBL588
DrugBank DB00800
DrugCentral 1153
FDA SRS INU8H2KAWG
Human Metabolome Database HMDB0014938
Guide to Pharmacology 939
KEGG C07693
PharmGKB PA164784034
PubChem 3341
SureChEMBL SCHEMBL34250
CONTENTS