TT-301

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

Identification

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Name
TT-301
Accession Number
DB12899
Type
Small Molecule
Groups
Investigational
Description

TT301 has been used in trials studying the treatment of Traumatic Brain Injury.

Structure
Thumb
Synonyms
Not Available
External IDs
MW-01-6-189WH / MW-189 / MW01-6-189WH / TT301
Categories
Not Available
UNII
CY416F5NSK
CAS number
886208-76-0
Weight
Average: 395.47
Monoisotopic: 395.185843704
Chemical Formula
C23H21N7
InChI Key
ZPJGUEPHFXPAQF-UHFFFAOYSA-N
InChI
InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
IUPAC Name
6-phenyl-4-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
SMILES
C1CN(CCN1C1=NC=CC=N1)C1=C(C=C(N=N1)C1=CC=CC=C1)C1=CC=NC=C1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
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

References

General References
Not Available
External Links
PubChem Compound
54576073
PubChem Substance
347829051
ChemSpider
28561746

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentTraumatic Brain Injury (TBI)1
1, 2Active Not RecruitingTreatmentHealthy Adult Volunteers1

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 Solubility0.0726 mg/mLALOGPS
logP3.53ALOGPS
logP3.43ChemAxon
logS-3.7ALOGPS
pKa (Strongest Basic)4.56ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area70.93 Å2ChemAxon
Rotatable Bond Count4ChemAxon
Refractivity119.41 m3·mol-1ChemAxon
Polarizability43.25 Å3ChemAxon
Number of Rings5ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as phenylpyridazines. These are organic compounds containing a pyridazine ring substituted by a phenyl group.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Diazines
Sub Class
Pyridazines and derivatives
Direct Parent
Phenylpyridazines
Alternative Parents
N-arylpiperazines / Dialkylarylamines / Aminopyrimidines and derivatives / Aminopyridazines / Pyridines and derivatives / Imidolactams / Benzene and substituted derivatives / Heteroaromatic compounds / Azacyclic compounds / Organopnictogen compounds
show 1 more
Substituents
N-arylpiperazine / Phenylpyridazine / Dialkylarylamine / Aminopyridazine / Aminopyrimidine / Monocyclic benzene moiety / 1,4-diazinane / Piperazine / Pyridine / Pyrimidine
show 9 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 19:06 / Updated on December 02, 2019 09:41