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Compound Detail

CHEMBL480182

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O=C1ON=C(c2ccc(Cl)cc2)/C1=C/c1ccc(N2CCCC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL480182
Phase Preclinical
Structure Type MOL
InChI Key NAEJQBPRDTYBFI-AQTBWJFISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.8
MW (Da)
4.28
ALogP
4
HBA
0
HBD
41.9
PSA (Ų)
0.61
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 C20H17ClN2O2
MW 352.82
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 6.4 6.4 400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 400.0 nM 6.4 Antagonist activity at wild type human recombinant androgen receptor assessed as... 18571420

Literature References

PubMed DOI Target Context # Activities
18571420 10.1016/j.bmc.2008.05.063 Androgen receptor 1

Data from ChEMBL 36 via Core Engine