TRAXOPRODIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: UTC046R5HM

Structure
InChI Key QEMSVZNTSXPFJA-HNAYVOBHSA-N
Smile C[C@@H]([C@@H](O)c1ccc(O)cc1)N1CCC(O)(c2ccccc2)CC1
InChI
InChI=1S/C20H25NO3/c1-15(19(23)16-7-9-18(22)10-8-16)21-13-11-20(24,12-14-21)17-5-3-2-4-6-17/h2-10,15,19,22-24H,11-14H2,1H3/t15-,19+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H25NO3
Molecular Weight 327.42
AlogP 2.8
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 63.93
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Glutamate NMDA receptor; GRIN1/GRIN2B antagonist PubMed PubMed DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 4250 - - -
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 7-41 - 11 -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 10000 - - -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 5700-19520 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Stroke 2 D020521 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL17350
EPA CompTox DTXSID90158605
FDA SRS UTC046R5HM
Guide to Pharmacology 4163
PubChem 219101
SureChEMBL SCHEMBL4248
ZINC ZINC000000005936
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