ACT-709478

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3Z7U1U8Z9E

Structure
InChI Key LSYANGLAZUZYFX-UHFFFAOYSA-N
Smile N#Cc1ccc(Cn2ccc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)nc1
InChI
InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H18F3N5O
Molecular Weight 425.41
AlogP 3.97
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 83.6
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated T-type calcium channel blocker Other PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2B Cytochrome P450 2B6
- 52000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C19
- 25000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C8
- 14000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2C Cytochrome P450 2C9
- 22000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 15000 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 46000-51000 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 5500 - - 30
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 13 - 20 -
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neurokinin receptor
- - - - 60
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuromedin U receptor
- - - - 56
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Neuropeptide receptor
- - - - 60
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Lipid-like ligand receptor (family A GPCR) EDG receptor
- - - - 55
Membrane receptor Family C G protein-coupled receptor Ion receptor (family C GPCR) Calcium sensing receptor Calcium sensing receptor
- - - - 84
Membrane receptor
- - - - 54
Transporter Transmembrane 1-electron transfer carriers
- - - - 30
Unclassified protein
- 6 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Epilepsy, Reflex 2 D020195 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4217292
DrugBank DB16241
FDA SRS 3Z7U1U8Z9E
PubChem 118560618
SureChEMBL SCHEMBL17316866
CONTENTS