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Compound Detail

CHEMBL195537

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Clc1cc2cc(Cl)c(Cl)c(Cl)c2cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL195537
Phase Preclinical
Structure Type MOL
InChI Key MKCASBPTHPJCDC-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
6.11
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.52
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H3Cl5
MW 300.40
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.30

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
15658857 10.1021/jm049536b Cytochrome P450 2A6 1
15658857 10.1021/jm049536b Cytochrome P450 2A5 1
15658857 10.1021/jm049536b ADMET 1
19110342 10.1016/j.ejmech.2008.11.010 Cytochrome P450 2A5 1

Data from ChEMBL 36 via Core Engine