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Compound Detail

CHEMBL196239

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Cl/C=C(\c1ccc(Cl)cc1)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL196239
Phase Preclinical
Structure Type MOL
InChI Key OQMWNKDFIAFJEO-UKTHLTGXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.6
MW (Da)
5.62
ALogP
0
HBA
0
HBD
0.0
PSA (Ų)
0.67
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 C14H9Cl3
MW 283.59
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 4.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
IC50 4.98 4.98 10471.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 10471.29 nM 4.98 Inhibitory concentration against recombinant rat androgen receptor expressed in ... 16134935

Literature References

PubMed DOI Target Context # Activities
16134935 10.1021/jm050403f Androgen receptor 1

Data from ChEMBL 36 via Core Engine