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Compound Detail

CHEMBL1210323

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O=C(/C=C1\c2cccc(Cl)c2C(=O)c2cccc(Cl)c21)c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1210323
Phase Preclinical
Structure Type MOL
InChI Key LTIKERIRMCEVQV-LFIBNONCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

413.7
MW (Da)
6.51
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.28
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H11Cl3O2
MW 413.69
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
K562
CHEMBL385
 IC50 5.8 5.8 1600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
K562 IC50 = 1600.0 nM 5.8 Antiproliferative activity against human K562 cells after 48 hrs 20537765

Literature References

PubMed DOI Target Context # Activities
20537765 10.1016/j.ejmech.2010.04.032 K562 1
20537765 10.1016/j.ejmech.2010.04.032 Tubulin 1

Data from ChEMBL 36 via Core Engine