TAVAPADON

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Synonyms
Status
Molecule Category Free-form
UNII PT4P8MJP8L

Structure

InChI Key AKQXQLUNFKDZBN-UHFFFAOYSA-N
Smiles Cc1cc(Oc2ncccc2C(F)(F)F)ccc1-c1c(C)c(=O)[nH]c(=O)n1C
InChI
InChI=1S/C19H16F3N3O3/c1-10-9-12(28-17-14(19(20,21)22)5-4-8-23-17)6-7-13(10)15-11(2)16(26)24-18(27)25(15)3/h4-9H,1-3H3,(H,24,26,27)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H16F3N3O3
Molecular Weight 391.35
AlogP 3.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 76.98
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D1 receptor partial agonist PARTIAL AGONIST Other Other
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
- - - 8.54 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 8.54 -

Target Conservation

Protein: Dopamine D1 receptor
Description: D(1A) dopamine receptor
Organism : Homo sapiens
P21728 ENSG00000184845
Protein: Dopamine D5 receptor
Description: D(1B) dopamine receptor
Organism : Homo sapiens
P21918 ENSG00000169676

Cross References

Resources Reference
ChEMBL CHEMBL3697617
DrugBank DB14899
FDA SRS PT4P8MJP8L
PubChem 86764100
SureChEMBL SCHEMBL16334991
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