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Compound Detail

CHEMBL57053

PARACHLOROPHENOL
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Basic Information

ChEMBL ID CHEMBL57053
Name PARACHLOROPHENOL
Phase Preclinical
Structure Type MOL
InChI Key WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Known Names

4-chlorphenol NSC-2877 P-chlorophenol Parachlorophenol
0
Targets
9
Activities
3
Assay Types
0
PK Parameters
20
Publications
4
Known Names

Molecular Properties

128.6
MW (Da)
2.05
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C6H5ClO
MW 128.56
Aromatic Rings 1
Heavy Atoms 8
NP-Likeness -0.25

Activity Summary

IC50 6 meas.
Ki 2 meas.
EC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31401536 10.1016/j.ejmech.2019.111578 Mycobacterium kansasii 6
31202993 10.1016/j.ejmech.2019.06.011 Oxysterols receptor LXR-beta 4
6802973 10.1021/jm00345a016 No relevant target 3
16789751 10.1021/jm060230+ ADMET 3
16279782 10.1021/jm050567w L1210 2
894678 10.1021/jm00218a017 No relevant target 2
1271403 10.1021/jm00227a008 No relevant target 2
31401536 10.1016/j.ejmech.2019.111578 Mycobacterium tuberculosis 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
31401536 10.1016/j.ejmech.2019.111578 Mycobacterium avium 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
6802973 10.1021/jm00345a016 Bacillus subtilis 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
16789751 10.1021/jm060230+ Homo sapiens 1
16279782 10.1021/jm050567w CCRF-CEM 1
16279782 10.1021/jm050567w ADMET 1
17300161 10.1021/jm0611105 No relevant target 1
17300161 10.1021/jm0611105 Skin 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
11527738 10.1016/s0960-894x(01)00438-3 No relevant target 1

Data from ChEMBL 36 via Core Engine