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Compound Detail

CHEMBL44814

CARBON TETRACHLORIDE
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Basic Information

ChEMBL ID CHEMBL44814
Name CARBON TETRACHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key VZGDMQKNWNREIO-UHFFFAOYSA-N

Known Names

Carbon tetrachloride NSC-97063
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
17
Publications
2
Known Names

Molecular Properties

153.8
MW (Da)
2.55
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula CCl4
MW 153.82
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.20

Activity Summary

EC50 1 meas.
IC50 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 2E1
CHEMBL5281
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 2E1 IC50 = 11000.0 nM 4.96 DRUGMATRIX: CYP450, 2E1 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885861 Rattus norvegicus 1446
- 10.6019/CHEMBL3885881 Rattus norvegicus 1262
21459003 10.1016/j.bmc.2011.01.037 HepG2 2
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 4 1
7861411 10.1021/jm00004a009 Aspergillus nidulans 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 3 1
23956101 10.1093/toxsci/kft176 ATP-binding cassette sub-family C member 2 1
23956101 10.1093/toxsci/kft176 Bile salt export pump 1
20829430 10.1093/toxsci/kfq269 Bile salt export pump 1
17629592 10.1016/j.ejmech.2007.05.007 No relevant target 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1
20799726 10.1021/mp100103e Phospholipidosis 1
17428028 10.1021/ci6004542 Phospholipidosis 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
2033592 10.1021/jm00109a021 ADMET 1
7861411 10.1021/jm00004a009 No relevant target 1

Data from ChEMBL 36 via Core Engine