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Compound Detail

CHEMBL125809

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C[C@](O)(CBr)C(=O)Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125809
Phase Preclinical
Structure Type MOL
InChI Key GUKTWOHFZVVJON-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.1
MW (Da)
1.59
ALogP
6
HBA
2
HBD
135.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H10BrN3O6
MW 348.11
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.65

Activity Summary

Ki 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 7.09 7.09 81.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 81.28 nM 7.09 Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... 15715462

Literature References

PubMed DOI Target Context # Activities
15239655 10.1021/jm0499007 Androgen receptor 1
15715462 10.1021/jm0495879 Androgen receptor 1

Data from ChEMBL 36 via Core Engine