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Compound Detail

CHEMBL70141

2-MERCAPTOBENZIMIDAZOLE
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Sc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70141
Name 2-MERCAPTOBENZIMIDAZOLE
Phase Preclinical
Structure Type MOL
InChI Key YHMYGUUIMTVXNW-UHFFFAOYSA-N
4
Targets
9
Activities
1
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

150.2
MW (Da)
1.85
ALogP
2
HBA
2
HBD
28.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H6N2S
MW 150.21
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.35

Activity Summary

IC50 9 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 7.4 7.4 40.0 1
Entamoeba histolytica
CHEMBL612853
 IC50 6.88 6.88 131.8 2
Mushroom tyrosinase
CHEMBL6066154
 IC50 6.82 6.585 150.0 2
Proteasome subunit beta type-8
CHEMBL5620
 IC50 3.94 3.94 114000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 40.0 nM 7.4 The compound was tested in vitro against the protozoa Giardia lamblia, for the i... 12127542
Entamoeba histolytica IC50 = 133.0 nM 6.88 The compound was tested in vitro against the protozoa Entamoeba histolytica, for... 12127542
Entamoeba histolytica IC50 = 131.83 nM 6.88 Antiamnesic activity against Entamoeba histolytica 17074492
Mushroom tyrosinase IC50 = 150.0 nM 6.82 Inhibition of mushroom tyrosinase diphenolase activity using L-dopa as substrate... 38244374
Mushroom tyrosinase IC50 = 450.0 nM 6.35 Inhibition of mushroom tyrosinase monophenolase activity using L-tyrosine as sub... 38244374
Proteasome subunit beta type-8 IC50 = 114000.0 nM 3.94 Inhibition of human chymotrypsin-like beta 5i subunit of iCP using suc-LLVY-AMC ... 33894528

Literature References

PubMed DOI Target Context # Activities
21803461 10.1016/j.ejmech.2011.07.014 Hyaluronidase 16
38244374 10.1016/j.ejmech.2024.116136 No relevant target 2
38244374 10.1016/j.ejmech.2024.116136 Danio rerio 2
38244374 10.1016/j.ejmech.2024.116136 Mushroom tyrosinase 2
20921305 10.1128/aac.01029-10 Bacillus anthracis 2
21803461 10.1016/j.ejmech.2011.07.014 Unchecked 2
29472125 10.1016/j.bmc.2018.02.004 D-amino-acid oxidase 1
38244374 10.1016/j.ejmech.2024.116136 Tyrosinase 1
36105338 10.1021/acsmedchemlett.2c00256 Glutaminyl-peptide cyclotransferase 1
33894528 10.1016/j.ejmech.2021.113455 No relevant target 1
33894528 10.1016/j.ejmech.2021.113455 Proteasome Macropain subunit MB1 1
33894528 10.1016/j.ejmech.2021.113455 Proteasome subunit beta type-8 1
12127542 10.1016/s0960-894x(02)00346-3 Giardia intestinalis 1
20921305 10.1128/aac.01029-10 J774.A1 1
17074492 10.1016/j.bmc.2006.10.019 Entamoeba histolytica 1
12127542 10.1016/s0960-894x(02)00346-3 Trichinella spiralis 1
12127542 10.1016/s0960-894x(02)00346-3 Entamoeba histolytica 1

Data from ChEMBL 36 via Core Engine