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Compound Detail

CHEMBL1407943

CLEMIZOLE
🧪 Phase II
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🧪 Phase II
Clc1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL1407943
Name CLEMIZOLE
Phase Phase II
Structure Type MOL
InChI Key CJXAEXPPLWQRFR-UHFFFAOYSA-N

Known Names

AL-20 FREE BASE Clemizol Clemizole NSC-46261
7
Targets
9
Activities
2
Assay Types
0
PK Parameters
20
Publications
4
Known Names
3
Indications

Molecular Properties

325.8
MW (Da)
4.33
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C19H20ClN3
MW 325.84
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.88

Indications

Carcinoma, Hepatocellular Lennox Gastaut Syndrome Hepatitis C

Activity Summary

IC50 6 meas. best 7.62
EC50 3 meas. best 5.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.62 7.62 24.0 1
Short transient receptor potential channel 5
CHEMBL4523481
IC50 5.96 5.96 1100.0 1
Short transient receptor potential channel 4
CHEMBL1741219
IC50 5.19 5.19 6400.0 1
Hepatitis C virus
CHEMBL379
EC50 5.1 4.9467 8000.0 3
Short transient receptor potential channel 3
CHEMBL2417348
IC50 5.04 5.04 9100.0 1
Short transient receptor potential channel 6
CHEMBL2417347
IC50 4.95 4.95 11300.0 1
Short transient receptor potential channel 7
CHEMBL4523502
IC50 4.58 4.58 26500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.5281/zenodo.13943903 ADMET 89
31158845 10.1038/s41586-019-1291-3 ADMET 62
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
30943030 10.1021/acs.jmedchem.8b01954 Unchecked 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 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 5-hydroxytryptamine receptor 1A 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 2
26241789 10.1021/acs.jmedchem.5b00825 Hepatitis C virus 2
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 2
24561671 10.1016/j.ejmech.2014.01.062 Hepatitis C virus 2

Data from ChEMBL 36 via Core Engine