TRAXOPRODIL

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Synonyms
Status
Molecule Category Free-form
UNII UTC046R5HM
EPA CompTox DTXSID90158605

Structure

InChI Key QEMSVZNTSXPFJA-HNAYVOBHSA-N
Smiles 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

Mechanism of Action Action Reference
Glutamate NMDA receptor; GRIN1/GRIN2B antagonist ANTAGONIST PubMed PubMed DOI
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Ligand-gated ion channel Ionotropic glutamate receptor NMDA receptor
- 7-74 - 4.6-11 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 74 - - -
Rattus norvegicus
- 7-41 - 4.6 -

Target Conservation

Protein: Glutamate NMDA receptor; GRIN1/GRIN2B
Description: Glutamate receptor ionotropic, NMDA 1
Organism : Homo sapiens
Q05586 ENSG00000176884
Protein: Glutamate NMDA receptor; GRIN1/GRIN2B
Description: Glutamate receptor ionotropic, NMDA 2B
Organism : Homo sapiens
Q13224 ENSG00000273079

Cross References

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