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Compound Detail

CHEMBL4800572

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C[C@@]1(Cn2cc(F)cn2)OC(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4800572
Phase Preclinical
Structure Type MOL
InChI Key LPXSCARXKBLUJZ-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

382.3
MW (Da)
2.85
ALogP
6
HBA
0
HBD
88.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H10F4N4O3
MW 382.27
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 5.95

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.95 5.95 1131.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1131.0 nM 5.95 Antagonist activity at recombinant human AR expressed in HEK293 cells assessed a... 33095584

Literature References

PubMed DOI Target Context # Activities
33095584 10.1021/acs.jmedchem.0c00943 Androgen receptor 3

Data from ChEMBL 36 via Core Engine