ECOPIPAM

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Synonyms
Status
Molecule Category Free-form
UNII 0X748O646K
EPA CompTox DTXSID8043814

Structure

InChI Key DMJWENQHWZZWDF-PKOBYXMFSA-N
Smiles CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
InChI
InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20ClNO
Molecular Weight 313.83
AlogP 3.98
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D1 receptor antagonist ANTAGONIST PubMed PubMed
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 Dopamine receptor
- - - 0.9-980 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.9 -
Rattus norvegicus
- - - 1.9-514 -

Target Conservation

Protein: Dopamine D1 receptor
Description: D(1A) dopamine receptor
Organism : Homo sapiens
P21728 ENSG00000184845

Cross References

Resources Reference
ChEBI 93645
ChEMBL CHEMBL298406
DrugBank DB12273
FDA SRS 0X748O646K
Guide to Pharmacology 3304
PubChem 107930
SureChEMBL SCHEMBL1649794
ZINC ZINC000000003897
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