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Compound Detail

CHEMBL134303

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CC1(C)CCc2cc3c(C(F)(F)F)cc(N(S(C)(=O)=O)S(C)(=O)=O)nc3cc2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134303
Phase Preclinical
Structure Type MOL
InChI Key HJTGBKGTMOOPIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.5
MW (Da)
3.12
ALogP
6
HBA
1
HBD
96.4
PSA (Ų)
0.77
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 C17H20F3N3O4S2
MW 451.49
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.2 6.2 636.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 636.0 nM 6.2 Inhibitory concentration against human androgen receptor (AR) dependent transcri... 10743937

Literature References

PubMed DOI Target Context # Activities
10743937 10.1016/s0960-894x(00)00010-x Androgen receptor 3

Data from ChEMBL 36 via Core Engine