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Compound Detail

CHEMBL306226

BENZIMIDAZOLE
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c1ccc2[nH]cnc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL306226
Name BENZIMIDAZOLE
Phase Preclinical
Structure Type MOL
InChI Key HYZJCKYKOHLVJF-UHFFFAOYSA-N

Known Names

1h-benzimidazole 1h-benzoimidazole 1h-benzo[d]imidazole Benzimidazole NSC-759
3
Targets
12
Activities
3
Assay Types
0
PK Parameters
20
Publications
5
Known Names

Molecular Properties

118.1
MW (Da)
1.56
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C7H6N2
MW 118.14
Aromatic Rings 2
Heavy Atoms 9
NP-Likeness -1.21

Activity Summary

IC50 10 meas. best 8.1
Kd 1 meas.
Ki 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 8.1 8.1 8.0 2
Unchecked
CHEMBL612545
 IC50 7.4 7.4 40.0 1
Entamoeba histolytica
CHEMBL612853
 IC50 7.38 7.38 41.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 8.0 nM 8.1 The compound was tested in vitro against the protozoa Giardia lamblia, for the i... 12127542
Giardia intestinalis IC50 = 8.0 nM 8.1 Antigiardial activity against Giardia lamblia IMSS:0989:1 incubated for 48 hrs f... 32869995
Unchecked IC50 = 40.0 nM 7.4 Inhibition of CK1 (unknown origin) -
Entamoeba histolytica IC50 = 42.0 nM 7.38 The compound was tested in vitro against the protozoa Entamoeba histolytica, for... 12127542
Entamoeba histolytica IC50 = 41.69 nM 7.38 Antiamnesic activity against Entamoeba histolytica 17074492

Literature References

PubMed DOI Target Context # Activities
23886302 10.1021/jm4001709 Unchecked 17
22217866 10.1016/j.ejmech.2011.12.021 Helicobacter pylori 6
22217866 10.1016/j.ejmech.2011.12.021 NON-PROTEIN TARGET 5
7097715 10.1021/jm00348a003 Cytochrome P450 1A1 4
22464423 10.1016/j.ejmech.2012.03.014 No relevant target 4
25936258 10.1016/j.bmc.2015.03.085 HUVEC 4
- 10.1039/C3MD00117B Prolyl hydroxylase EGLN3 3
22823278 10.1021/jf302038a Plenodomus lingam 3
31711793 10.1016/j.ejmech.2019.111770 No relevant target 2
7097715 10.1021/jm00348a003 Cytochrome P450 2B1 2
23664164 10.1016/j.bmc.2013.04.011 Amine oxidase [copper-containing] 3 2
- 10.1007/s00044-012-0461-8 HCT-116 2
18486995 10.1016/j.ejmech.2008.03.043 ADMET 2
12127542 10.1016/s0960-894x(02)00346-3 Trichinella spiralis 1
34687983 10.1016/j.bmc.2021.116458 Unchecked 1
17074492 10.1016/j.bmc.2006.10.019 Entamoeba histolytica 1
15925511 10.1016/j.bmcl.2005.04.064 No relevant target 1
12127542 10.1016/s0960-894x(02)00346-3 Giardia intestinalis 1
7097715 10.1021/jm00348a003 No relevant target 1
7120277 10.1021/jm00350a002 No relevant target 1

Data from ChEMBL 36 via Core Engine