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Compound Detail

CHEMBL481302

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CCCCN(CCCC)C(=O)c1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481302
Phase Preclinical
Structure Type MOL
InChI Key OYYXRDMJCDQFME-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

462.6
MW (Da)
6.31
ALogP
5
HBA
0
HBD
71.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N4O3
MW 462.59
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 5.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 5.21 5.21 6100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 6100.0 nM 5.21 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 2

Data from ChEMBL 36 via Core Engine