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Compound Detail

CHEMBL2426632

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CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(cnn2CCc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2426632
Phase Preclinical
Structure Type MOL
InChI Key OCMRCJPZHDSKAM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
5.93
ALogP
6
HBA
1
HBD
72.7
PSA (Ų)
0.30
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N5OS
MW 481.63
Aromatic Rings 5
Heavy Atoms 35
NP-Likeness -1.48

Activity Summary

Ki 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glucocorticoid receptor
CHEMBL2034
 Ki 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glucocorticoid receptor Ki = 46.0 nM 7.34 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence pol... 23953070

Literature References

PubMed DOI Target Context # Activities
23953070 10.1016/j.bmcl.2013.06.089 Glucocorticoid receptor 7

Data from ChEMBL 36 via Core Engine