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Compound Detail

CHEMBL1738928

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CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

Basic Information

ChEMBL ID CHEMBL1738928
Phase Preclinical
Structure Type MOL
InChI Key KYPYTERUKNKOLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.1
MW (Da)
6.04
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.68
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12Cl4O2
MW 366.07
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.18

Activity Summary

IC50 1 meas. best 5.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.26 5.26 5500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5500.0 nM 5.26 Inhibition of rabbit skeletal muscle sarco/endoplasmic reticulum calcium ATPase ... 23643898

Literature References

PubMed DOI Target Context # Activities
23643898 10.1016/j.bmc.2013.04.012 Unchecked 2

Data from ChEMBL 36 via Core Engine