Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3410856

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1c(N2C3CCC2CC(C)(O)C3)ccc(C#N)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3410856
Phase Preclinical
Structure Type MOL
InChI Key OUEODVPKPRQETQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

290.8
MW (Da)
3.40
ALogP
3
HBA
1
HBD
47.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19ClN2O
MW 290.79
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.15

Activity Summary

IC50 3 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Androgen receptor
CHEMBL1871
 IC50 9.0 8.7867 1.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Androgen receptor IC50 = 1.0 nM 9.0 Binding affinity to human Androgen receptor 35786895
Androgen receptor IC50 = 2.11 nM 8.68 Antagonist activity against pSG5-tagged human androgen receptor expressed in COS... 25646649
Androgen receptor IC50 = 2.11 nM 8.68 Displacement of [3H]R1881 from pSG5-tagged human androgen receptor expressed in ... 25646649

Literature References

PubMed DOI Target Context # Activities
25646649 10.1021/jm501995n Androgen receptor 5
35786895 10.1021/acs.jmedchem.2c00716 Androgen receptor 2
35786895 10.1021/acs.jmedchem.2c00716 Unchecked 2

Data from ChEMBL 36 via Core Engine