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Compound Detail

CHEMBL51934

VELNACRINE
🧪 Phase II
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🧪 Phase II
Nc1c2c(nc3ccccc13)CCCC2O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL51934
Name VELNACRINE
Phase Phase II
Structure Type MOL
InChI Key HLVVITIHAZBPKB-UHFFFAOYSA-N

Known Names

1-hydroxytacrine 1-oh-tha Hydroxytacrine Velnacrina Velnacrine
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

214.3
MW (Da)
2.19
ALogP
3
HBA
2
HBD
59.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Stem -crine
USAN Year 1989

Extended Properties

Molecular Formula C13H14N2O
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.20

Activity Summary

IC50 10 meas. best 7.27

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Butyrylcholinesterase
CHEMBL5077
 IC50 7.27 7.27 53.3 1
Acetylcholinesterase
CHEMBL4078
 IC50 7.22 7.22 59.8 1
Acetylcholinesterase
CHEMBL220
 IC50 6.79 6.32 164.0 3
Acetylcholinesterase
CHEMBL3199
 IC50 6.44 5.7925 361.0 4
Acetylcholinesterase
CHEMBL3198
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Butyrylcholinesterase IC50 = 53.3 nM 7.27 Inhibition of (BChE) Butyrylcholinesterase of horse serum -
Acetylcholinesterase IC50 = 59.83 nM 7.22 Inhibition of acetylcholinesterase (AChE) in electric eel (type V-S) by modified... -
Acetylcholinesterase IC50 = 164.0 nM 6.79 Inhibition of acetylcholinesterase (AChE) of human red blood cell (type XIII) by... -
Acetylcholinesterase IC50 = 361.0 nM 6.44 Inhibition of Acetylcholinesterase in rat red blood cell 8709135
Acetylcholinesterase IC50 = 702.0 nM 6.15 Inhibition of Acetylcholinesterase in human red blood cell 8709135
Acetylcholinesterase IC50 = 954.0 nM 6.02 Inhibition of Acetylcholinesterase in monkey red blood cell 8709135
Acetylcholinesterase IC50 = 1000.0 nM 6.0 Inhibition of Acetylcholinesterase in mouse red blood cell 8709135
Acetylcholinesterase IC50 = 1300.0 nM 5.89 Inhibition of acetylcholinesterase -
Acetylcholinesterase IC50 = 3640.0 nM 5.44 Inhibition of acetylcholinesterase from rat striatal tissue -
Acetylcholinesterase IC50 = 4000.0 nM 5.4 In vitro inhibition against acetylcholinesterase in rat striata. 2754707

Literature References

PubMed DOI Target Context # Activities
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
2754707 10.1021/jm00128a024 Mus musculus 7
8709135 10.1021/jm9602266 Acetylcholinesterase 4
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.1016/S0960-894X(00)80545-4 Acetylcholinesterase 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2

Data from ChEMBL 36 via Core Engine