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Compound Detail

CHEMBL178354

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C[C@](O)(CI)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL178354
Phase Preclinical
Structure Type MOL
InChI Key KMBKIAPXINYEHM-NSHDSACASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.1
MW (Da)
2.70
ALogP
3
HBA
2
HBD
73.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10F3IN2O2
MW 398.12
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.14

Activity Summary

Ki 1 meas. best 8.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL3072
 Ki 8.55 8.55 2.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 2.818 nM 8.55 Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventr... 15715462

Literature References

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

Data from ChEMBL 36 via Core Engine