Details of the Drug

General Information of Drug (ID: DMUB0EC)

Drug Name
VELNACRINE
Synonyms
Velnacrine; 124027-47-0; 1-hydroxytacrine; 9-amino-1,2,3,4-tetrahydroacridin-1-ol; Velnacrine [INN:BAN]; Velnacrinum [INN-Latin]; Velnacrina [INN-Spanish]; 1-Acridinol,9-amino-1,2,3,4-tetrahydro-; 104675-29-8; 1-Acridinol, 9-amino-1,2,3,4-tetrahydro-; UNII-JFN3Z63E2C; UNII-OQL6V4U301; JFN3Z63E2C; CHEMBL51934; OQL6V4U301; HLVVITIHAZBPKB-UHFFFAOYSA-N; AK160411; Velnacrinum; Velnacrina; 112964-98-4; Velnacrine, (+)-; 9-ATHCO; 1-hydroxy-tacrine; 1-Hydroxy Tacrine; 121445-17-8; ACMC-20ddjc; Velnacrine, (-)-; Spectrum_000073; AC1Q7AWG
Indication
Disease Entry ICD 11 Status REF
Cognitive impairment 6D71 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 214.26
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C13H14N2O
IUPAC Name
9-amino-1,2,3,4-tetrahydroacridin-1-ol
Canonical SMILES
C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O
InChI
InChI=1S/C13H14N2O/c14-13-8-4-1-2-5-9(8)15-10-6-3-7-11(16)12(10)13/h1-2,4-5,11,16H,3,6-7H2,(H2,14,15)
InChIKey
HLVVITIHAZBPKB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3655
ChEBI ID
CHEMBL51934
CAS Number
124027-47-0
TTD ID
D0L8QQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Acetylcholinesterase (AChE) TT1RS9F ACES_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 Cognitive impairment
ICD Disease Classification 6D71
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Acetylcholinesterase (AChE) DTT ACHE 6.39E-02 -1.07 -1.15
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Velnacrine for Alzheimer's disease. Cochrane Database Syst Rev. 2004;(2):CD004748.
2 Synthesis and biological activity of putative mono-hydroxylated metabolites of velnacrine, Bioorg. Med. Chem. Lett. 2(8):865-870 (1992).