NAV

Tirilazad

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tirilazad
DrugBank Accession Number
DB13050
Background

Tirilazad has been used in trials studying the treatment of Spinal Cord Injury.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 624.874
Monoisotopic: 624.415174938
Chemical Formula
C38H52N6O2
Synonyms
  • Tirilazad
External IDs
  • U 74006
  • U-74006
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

ATC Codes
N07XX01 — Tirilazad
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as gluco/mineralocorticoids, progestogins and derivatives. These are steroids with a structure based on a hydroxylated prostane moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Steroids and steroid derivatives
Sub Class
Pregnane steroids
Direct Parent
Gluco/mineralocorticoids, progestogins and derivatives
Alternative Parents
20-oxosteroids / 3-oxo delta-1,4-steroids / Delta-1,4-steroids / N-arylpiperazines / Dialkylarylamines / Aminopyrimidines and derivatives / N-alkylpiperazines / Imidolactams / Pyrrolidines / Alpha-amino ketones
show 7 more
Substituents
1,4-diazinane / 20-oxosteroid / 3-oxo-delta-1,4-steroid / 3-oxosteroid / Alpha-aminoketone / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Carbonyl group
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
YD064E883I
CAS number
110101-66-1
InChI Key
RBKASMJPSJDQKY-RBFSKHHSSA-N
InChI
InChI=1S/C38H52N6O2/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3/t26-,29-,31+,35-,37+,38+/m1/s1
IUPAC Name
(2S,10S,11S,13R,14S,15S)-14-(2-{4-[2,6-bis(pyrrolidin-1-yl)pyrimidin-4-yl]piperazin-1-yl}acetyl)-2,13,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(17),3,6-trien-5-one
SMILES
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(CC1)C1=CC(=NC(=N1)N1CCCC1)N1CCCC1

References

General References
Not Available
PubChem Compound
104903
PubChem Substance
347829179
ChemSpider
94673
RxNav
72467
ChEBI
135853
ChEMBL
CHEMBL1630578
ZINC
ZINC000043133316
Wikipedia
Tirilazad

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3CompletedTreatmentSpinal Cord Injuries1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0773 mg/mLALOGPS
logP5.45ALOGPS
logP6.63Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)18.26Chemaxon
pKa (Strongest Basic)6.59Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area72.88 Å2Chemaxon
Rotatable Bond Count6Chemaxon
Refractivity190.35 m3·mol-1Chemaxon
Polarizability73.65 Å3Chemaxon
Number of Rings8Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0100009000-4971c01baeb9418b8176
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000009000-eb62228f70baf6e9dd33
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05br-0600697000-a3bc1a4996d7fe060a38
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0023009000-2f92aaa0ac22435bb1c7
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00gl-0073594000-10bbddc0b681d41d8a25
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00pi-0616905000-21ec0f23143fadd2045d
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-243.9807
predicted
DeepCCS 1.0 (2019)
[M+H]+245.8761
predicted
DeepCCS 1.0 (2019)
[M+Na]+251.76692
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 02:25 / Updated at February 21, 2021 18:54