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Compound Detail

CHEMBL3261870

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O=C1/C(=C/c2ccc(Cl)cc2Cl)Oc2ccccc21

Basic Information

ChEMBL ID CHEMBL3261870
Phase Preclinical
Structure Type MOL
InChI Key SUSWIKSXJMILJD-AUWJEWJLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

291.1
MW (Da)
4.61
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H8Cl2O2
MW 291.13
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.99

Activity Summary

EC50 1 meas. best 4.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK-293T
CHEMBL3706568
EC50 4.17 4.17 68000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK-293T EC50 = 68000.0 nM 4.17 Cytotoxicity against HEK293T cells after 48 hrs by MTT assay 24813880

Literature References

PubMed DOI Target Context # Activities
24813880 10.1016/j.ejmech.2014.04.076 Unchecked 2
24813880 10.1016/j.ejmech.2014.04.076 HEK-293T 1
24813880 10.1016/j.ejmech.2014.04.076 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine