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Compound Detail

CHEMBL2177230

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CN1C(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)[C@@]1(C)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2177230
Phase Preclinical
Structure Type MOL
InChI Key YPONBLYNQFHCLA-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

381.3
MW (Da)
4.18
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14Cl2N2O2S
MW 381.28
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.75

Activity Summary

EC50 1 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 EC50 9.1 9.1 0.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor EC50 = 0.8 nM 9.1 Modulation of Androgen receptor (unknown origin) 35063736

Literature References

PubMed DOI Target Context # Activities
22897611 10.1021/jm300249m Androgen receptor 2
22897611 10.1021/jm300249m Rattus norvegicus 2
35063736 10.1016/j.ejmech.2022.114119 Androgen receptor 1

Data from ChEMBL 36 via Core Engine