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Compound Detail

CHEMBL481515

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Cc1cc(C)cc(N(Cc2ccc(O)cc2)c2cc(C(=O)N3CCCC3)n(C)c2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL481515
Phase Preclinical
Structure Type MOL
InChI Key MOOJZBBQWIKHKT-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
4.92
ALogP
4
HBA
1
HBD
48.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N3O2
MW 403.53
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.77

Activity Summary

IC50 1 meas. best 5.18
Ki 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 Ki 6.16 6.16 690.0 1
Androgen receptor
CHEMBL1871
 IC50 5.18 5.18 6600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor Ki = 690.0 nM 6.16 Displacement of [3H]testosterone from wild type human androgen receptor 18571420
Androgen receptor IC50 = 6600.0 nM 5.18 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