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Compound Detail

CHEMBL3326456

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Cc1c(C2=NN3CC[C@H](O)[C@H]3[C@@H]2OC(C)C)ccc(C#N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3326456
Phase Preclinical
Structure Type MOL
InChI Key DFCZRPFNJWFTFF-RRQGHBQHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.8
MW (Da)
2.47
ALogP
5
HBA
1
HBD
68.8
PSA (Ų)
0.92
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 C17H20ClN3O2
MW 333.82
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -0.02

Activity Summary

EC50 1 meas. best 8.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 EC50 8.35 8.35 4.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 4.5 nM 8.35 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