ECOPIPAM

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: Parent
UNII: 0X748O646K

Structure
InChI Key DMJWENQHWZZWDF-PKOBYXMFSA-N
Smile 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
Number of Rotational Bond 0.0
Polar Surface Area 23.47
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D1 receptor 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
- - - 1-2 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Gambling 2 D005715 ClinicalTrials
Tourette Syndrome 2 D005879 ClinicalTrials
Communication Disorders 2 D003147 ClinicalTrials
Restless Legs Syndrome 1 D012148 ClinicalTrials
Lesch-Nyhan Syndrome 1 D007926 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 112108-01-7
ChEBI 93645
ChEMBL CHEMBL298406
DrugBank DB12273
EPA CompTox DTXSID8043814
FDA SRS 0X748O646K
Guide to Pharmacology 3304
PubChem 107930
SureChEMBL SCHEMBL1649794
ZINC ZINC000000003897
CONTENTS