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Compound Detail

CHEMBL3238273

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C[C@](O)(COc1ccccc1)C(=O)N1CCc2c(C#N)cccc21

Basic Information

ChEMBL ID CHEMBL3238273
Phase Preclinical
Structure Type MOL
InChI Key LSZVTFLMUXBNKI-IBGZPJMESA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
2.28
ALogP
4
HBA
1
HBD
73.6
PSA (Ų)
0.94
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 C19H18N2O3
MW 322.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.94

Activity Summary

EC50 1 meas. best 6.16
IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
IC50 7.0 7.0 99.5 1
Androgen receptor
CHEMBL1871
EC50 6.16 6.16 689.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24527807 10.1021/jm401625b Androgen receptor 3

Data from ChEMBL 36 via Core Engine