PF-00217830

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Synonyms
Status
Molecule Category Free-form
UNII 8BC08N1MS5

Structure

InChI Key QGNOXTFZOLDODX-UHFFFAOYSA-N
Smiles O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccccc45)CC3)nc2N1
InChI
InChI=1S/C26H30N4O2/c31-24-12-10-21-11-13-25(28-26(21)27-24)32-19-4-3-14-29-15-17-30(18-16-29)23-9-5-7-20-6-1-2-8-22(20)23/h1-2,5-9,11,13H,3-4,10,12,14-19H2,(H,27,28,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H30N4O2
Molecular Weight 430.55
AlogP 4.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 57.7
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor partial agonist PARTIAL AGONIST 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
- - - 0.81 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 0.14-3.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 0.14-3.7 -
Mus musculus
- - - - 46
Rattus norvegicus
- - - - 31-78

Target Conservation

Protein: Dopamine D2 receptor
Description: D(2) dopamine receptor
Organism : Homo sapiens
P14416 ENSG00000149295

Cross References

Resources Reference
ChEMBL CHEMBL1774080
DrugBank DB12998
FDA SRS 8BC08N1MS5
PubChem 11697676
SureChEMBL SCHEMBL23721756
ZINC ZINC000034962169
CONTENTS