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Compound Detail

CHEMBL212579

BENZAMIL
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N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCc1ccccc1

Basic Information

ChEMBL ID CHEMBL212579
Name BENZAMIL
Phase Preclinical
Structure Type MOL
InChI Key KXDROGADUISDGY-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

319.8
MW (Da)
0.54
ALogP
5
HBA
4
HBD
145.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H14ClN7O
MW 319.76
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.82

Activity Summary

IC50 3 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.7 7.7 20.0 1
Amiloride-sensitive sodium channel subunit alpha
CHEMBL1791
IC50 7.18 7.18 66.0 1
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
IC50 5.55 5.55 2790.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16821771 10.1021/jm051134w Epithelial cell 1
16821771 10.1021/jm051134w Amiloride-sensitive sodium channel subunit alpha 1
22197144 10.1016/j.bmcl.2011.12.016 Unchecked 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
34792334 10.1021/acs.jmedchem.1c01694 Alpha-ketoglutarate-dependent dioxygenase FTO 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1

Data from ChEMBL 36 via Core Engine