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Compound Detail

CHEMBL390754

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O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL390754
Phase Preclinical
Structure Type MOL
InChI Key HCKPGGWJHITMIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

270.2
MW (Da)
2.35
ALogP
3
HBA
2
HBD
54.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H9F3N2O2
MW 270.21
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 6.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.53 6.53 296.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 296.0 nM 6.53 Antagonist activity at human androgen receptor expressed in CV1 cells by transcr... 17439112

Literature References

PubMed DOI Target Context # Activities
17439112 10.1021/jm061329j Androgen receptor 5

Data from ChEMBL 36 via Core Engine