Details of the Drug

General Information of Drug (ID: DMFKTPO)

Drug Name
VAR-10300
Synonyms M-30; M-32; Dual iron chelator/monoamine oxidase inhibitor compounds (neurodegenerative disease), Technion/Weizmann Institute/Varinel
Indication
Disease Entry ICD 11 Status REF
Neurodegenerative disorder 8A20-8A23 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 226.27
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H14N2O
IUPAC Name
5-[[methyl(prop-2-ynyl)amino]methyl]quinolin-8-ol
Canonical SMILES
CN(CC#C)CC1=C2C=CC=NC2=C(C=C1)O
InChI
InChI=1S/C14H14N2O/c1-3-9-16(2)10-11-6-7-13(17)14-12(11)5-4-8-15-14/h1,4-8,17H,9-10H2,2H3
InChIKey
FQFLPZZATVCNLA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6918822
ChEBI ID
CHEMBL3291021
CAS Number
766454-72-2
TTD ID
D02AQM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine oxidase type B (MAO-B) TTGP7BY AOFB_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 Neurodegenerative disorder
ICD Disease Classification 8A20-8A23
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Monoamine oxidase type B (MAO-B) DTT MAOB 2.65E-02 1.12E-02 0.07
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3897).
2 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2490).