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Compound Detail

CHEMBL3326459

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CO[C@H]1CCN2N=C(c3ccc(C#N)c(Cl)c3C)[C@@H](OC)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326459
Phase Preclinical
Structure Type MOL
InChI Key CVCHVOKBGGOHKN-VBNZEHGJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.8
MW (Da)
2.34
ALogP
5
HBA
0
HBD
57.9
PSA (Ų)
0.86
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 C16H18ClN3O2
MW 319.79
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.06

Activity Summary

EC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 EC50 8.15 8.15 7.1 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 7.1 nM 8.15 Agonist activity at human androgen receptor expressed in mouse C2C12 cells by an... 25121964

Literature References

PubMed DOI Target Context # Activities
25121964 10.1021/jm5009049 Androgen receptor 2

Data from ChEMBL 36 via Core Engine