Details of the Drug

General Information of Drug (ID: DMOZAMN)

Drug Name
TAK-935
Indication
Disease Entry ICD 11 Status REF
Dravet syndrome 8A61.11 Phase 2 [1]
LennoxGastaut syndrome 8A62.1 Phase 2 [1]
Tuberous sclerosis LD2D.2 Phase 2 [1]
Glutamate excitotoxity 5C73 Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 373.4
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C23H23N3O2
IUPAC Name
(4-benzyl-4-hydroxypiperidin-1-yl)-(2-pyridin-4-ylpyridin-3-yl)methanone
Canonical SMILES
C1CN(CCC1(CC2=CC=CC=C2)O)C(=O)C3=C(N=CC=C3)C4=CC=NC=C4
InChI
InChI=1S/C23H23N3O2/c27-22(20-7-4-12-25-21(20)19-8-13-24-14-9-19)26-15-10-23(28,11-16-26)17-18-5-2-1-3-6-18/h1-9,12-14,28H,10-11,15-17H2
InChIKey
XKUZMIUSBMCVPP-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
73437845
CAS Number
1429505-03-2
TTD ID
D06EHX
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cholesterol 24-hydroxylase (CYP46A1) TT4EB85 CP46A_HUMAN Inhibitor [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 ClinicalTrials.gov (NCT02201056) Safety, Tolerability, and Pharmacokinetics of Escalating Single Doses of TAK-935. U.S. National Institutes of Health.
3 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800040983)