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Compound Detail

CHEMBL85934

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CC(C)CCn1c(=O)n(C)c(=O)c2cn(Cc3cccc4ccccc34)cc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL85934
Phase Preclinical
Structure Type MOL
InChI Key BWJOZCRVWYHVOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.75
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.53
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 C23H25N3O2
MW 375.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.92

Activity Summary

IC50 1 meas. best 6.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.09 6.09 815.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 815.0 nM 6.09 Inhibition of nuclear factor of activated T-cells (NFAT) mediated transcription ... 7629796

Literature References

PubMed DOI Target Context # Activities
7629796 10.1021/jm00014a009 Unchecked 1

Data from ChEMBL 36 via Core Engine