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Compound Detail

CHEMBL7248

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CCOC(=O)c1cc2ccccn2/c(=N/c2ccc(C)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL7248
Phase Preclinical
Structure Type MOL
InChI Key USIKKWUUGNTAKD-VHEBQXMUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.05
ALogP
5
HBA
0
HBD
56.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2
MW 307.35
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.35

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
 IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 1700.0 nM 5.77 Inhibitory activity against LPS stimulated RAW 264.7 macrophages 11300882

Literature References

PubMed DOI Target Context # Activities
11300882 10.1021/jm000997g Mus musculus 5
11300882 10.1021/jm000997g Homo sapiens 1
11300882 10.1021/jm000997g Unchecked 1

Data from ChEMBL 36 via Core Engine