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Compound Detail

CHEMBL521329

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Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@H](O)CCN23)ccc(C#N)c1Cl

Basic Information

ChEMBL ID CHEMBL521329
Phase Preclinical
Structure Type MOL
InChI Key KALFKWQLCWAXJO-NWOJRZRWSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

359.7
MW (Da)
2.90
ALogP
4
HBA
1
HBD
68.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H13ClF3N3O2
MW 359.74
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness -0.32

Activity Summary

EC50 1 meas. best 8.96
Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
EC50 8.96 8.96 1.1 1
Androgen receptor
CHEMBL1871
Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19351168 10.1021/jm801583j Androgen receptor 2

Data from ChEMBL 36 via Core Engine