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Compound Detail

CHEMBL133825

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Cc1c2c(cc3c(C(F)(F)F)cc(F)nc13)C(C)CC(C)(C)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL133825
Phase Preclinical
Structure Type MOL
InChI Key UELQYAHFAKRYJN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.3
MW (Da)
5.40
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.52
QED
1
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18F4N2
MW 326.34
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.45

Activity Summary

IC50 1 meas. best 5.84

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.84 5.84 1448.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1448.0 nM 5.84 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