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Compound Detail

CHEMBL131961

4-CHLORO-2',4',6'-TRIHYDROXYCHALCONE
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O=C(/C=C/c1ccc(Cl)cc1)c1c(O)cc(O)cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL131961
Name 4-CHLORO-2',4',6'-TRIHYDROXYCHALCONE
Phase Preclinical
Structure Type MOL
InChI Key GYEHEAGZYKXABM-ZZXKWVIFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.7
MW (Da)
3.35
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.60
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H11ClO4
MW 290.70
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.44

Activity Summary

Kd 1 meas. best 5.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Kd 5.89 5.89 1300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Kd = 1300.0 nM 5.89 The dissociation constant was measured as binding affinity to P-Glycoprotein C-t... 9767651

Literature References

PubMed DOI Target Context # Activities
9767651 10.1021/jm9810194 Unchecked 1
9767651 10.1021/jm9810194 NON-PROTEIN TARGET 1
- 10.1007/s00044-011-9640-2 Mus musculus 1

Data from ChEMBL 36 via Core Engine