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Compound Detail

CHEMBL296323

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C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1

Basic Information

ChEMBL ID CHEMBL296323
Phase Preclinical
Structure Type MOL
InChI Key QDSWNDMHSBZXKX-JTQLQIEISA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

371.1
MW (Da)
2.70
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H10BrF3N2O4
MW 371.11
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -1.00

Activity Summary

Ki 3 meas. best 9.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
Ki 9.52 9.52 0.3 2
Androgen receptor
CHEMBL3072
Ki 9.52 9.52 0.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19432422 10.1021/jm900280m Androgen receptor 2
11356108 10.1021/jm0005353 Androgen receptor 1
15239655 10.1021/jm0499007 Androgen receptor 1
15715462 10.1021/jm0495879 Androgen receptor 1

Data from ChEMBL 36 via Core Engine