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]
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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: CHEBI:91990
CAS Number: 124027-47-0
TTD ID: D0L8QQ

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Acetylcholinesterase (ACHE)	OT2H8HG6	ACES_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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)

MEA Detail

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).
3	Profiling the Tox21 Chemical Collection for Acetylcholinesterase Inhibition. Environ Health Perspect. 2021 Apr;129(4):47008. doi: 10.1289/EHP6993. Epub 2021 Apr 12.