Details of the Drug

General Information of Drug (ID: DM4QV8Y)

Drug Name
TT-301
Synonyms Minozac; MW01-9-034WH; Anti-neuroinflammatories (Alzheimer's disease), NeuroMedix/Transition Therapeutics
Indication
Disease Entry ICD 11 Status REF
Alzheimer disease 8A20 Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 395.5
Logarithm of the Partition Coefficient (xlogp) 2.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C23H21N7
IUPAC Name
6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Canonical SMILES
C1CN(CCN1C2=NN=C(C=C2C3=CC=NC=C3)C4=CC=CC=C4)C5=NC=CC=N5
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
InChIKey
ZPJGUEPHFXPAQF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
54576073
CAS Number
886208-76-0
DrugBank ID
DB12899
TTD ID
D00EHX

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Interleukin-1 beta (IL1B) TTRYK0X IL1B_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Alzheimer disease
ICD Disease Classification 8A20
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Interleukin-1 beta (IL1B) DTT IL1B 4.74E-01 8.78E-03 0.02
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01357421) Effects of TT301 on Cytokine Levels Post Endotoxin Challenge. U.S. National Institutes of Health.
2 A Swell in the Armamentarium of Antiepileptic Drug Targets. Epilepsy Curr. 2011 Nov-Dec; 11(6): 172-176.