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Compound Detail

CHEMBL510289

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CCOc1cc(C)ccc1Oc1ccc(C#N)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510289
Phase Preclinical
Structure Type MOL
InChI Key RCVUQHFHSBQKIS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.3
MW (Da)
5.08
ALogP
3
HBA
0
HBD
42.2
PSA (Ų)
0.79
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F3NO2
MW 321.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 6.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.59 6.59 257.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 257.0 nM 6.59 Displacement of [3H]DHT from human cloned androgen receptor expressed in insect ... 19286380

Literature References

PubMed DOI Target Context # Activities
19286380 10.1016/j.bmcl.2009.02.104 Androgen receptor 2

Data from ChEMBL 36 via Core Engine