tirilazad Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
4063 110101-66-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • tirilazad mesylate
  • tirilazad
  • tirilazad mesilate
  • freedox
a lazaroid; potent inhibitor of iron-dependent lipid peroxidation; has shown excellent activity in in vivo models of experimental central nervous system trauma & ischemia; structure given in first source; tradename Freedox
  • Molecular weight: 624.87
  • Formula: C38H52N6O2
  • CLOGP: 6.73
  • LIPINSKI: 2
  • HAC: 8
  • HDO: 0
  • TPSA: 72.88
  • ALOGS: -3.91
  • ROTB: 6

Drug dosage:

DoseUnitRoute
0.42 g P

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 9.80 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 7 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.01 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 49.30 hours Lombardo F, Berellini G, Obach RS

Approvals:

None

FDA Adverse Event Reporting System (Female)

None

FDA Adverse Event Reporting System (Male)

None

Pharmacologic Action:

SourceCodeDescription
ATC N07XX01 NERVOUS SYSTEM
OTHER NERVOUS SYSTEM DRUGS
OTHER NERVOUS SYSTEM DRUGS
Other nervous system drugs
MeSH PA D000975 Antioxidants
MeSH PA D002491 Central Nervous System Agents
MeSH PA D018696 Neuroprotective Agents
MeSH PA D020011 Protective Agents

Drug Use (View source of the data)

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 8.26 Basic
pKa2 7.62 Basic
pKa3 2.97 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])
Mechanism
action
Bioact sourceMoA source
Beta-2 adrenergic receptor GPCR Ki 4.81 DRUG MATRIX
5-hydroxytryptamine receptor 2A GPCR Ki 6.24 DRUG MATRIX
5-hydroxytryptamine receptor 2B GPCR Ki 4.93 DRUG MATRIX
5-hydroxytryptamine receptor 2C GPCR Ki 6.42 DRUG MATRIX
Histamine H2 receptor GPCR Ki 4.86 DRUG MATRIX
Alpha-2C adrenergic receptor GPCR Ki 5.94 DRUG MATRIX
Epidermal growth factor receptor Kinase IC50 4.69 DRUG MATRIX
Tyrosine-protein kinase Lck Kinase IC50 4.80 DRUG MATRIX
Tyrosine-protein kinase Fyn Kinase IC50 5.95 DRUG MATRIX
Mitogen-activated protein kinase 3 Kinase IC50 4.79 DRUG MATRIX
Mitogen-activated protein kinase 14 Kinase IC50 5.13 DRUG MATRIX

External reference:

IDSource
D01930 KEGG_DRUG
111793-42-1 SECONDARY_CAS_RN
4025275 VANDF
C0208643 UMLSCUI
CHEBI:135853 CHEBI
CHEMBL1630578 ChEMBL_ID
CHEMBL1908849 ChEMBL_ID
CHEMBL3989513 ChEMBL_ID
CHEMBL1908330 ChEMBL_ID
C053355 MESH_SUPPLEMENTAL_RECORD_UI
6616 INN_ID
DB13050 DRUGBANK_ID
YD064E883I UNII
104902 PUBCHEM_CID
59827 RXNORM
007860 NDDF
007861 NDDF

Pharmaceutical products:

None