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Compound Detail

CHEMBL230430

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CC(C)(C)N1C(=O)c2cccnc2C1=O

Basic Information

ChEMBL ID CHEMBL230430
Phase Preclinical
Structure Type MOL
InChI Key AZDMODHZNLAGBX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
1.48
ALogP
3
HBA
0
HBD
50.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2O2
MW 204.23
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vero
CHEMBL391
IC50 4.48 4.48 33000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vero IC50 = 33000.0 nM 4.48 Cytotoxicity against Vero cells 17234303

Literature References

PubMed DOI Target Context # Activities
17234303 10.1016/j.ejmech.2006.12.003 Neutrophil 3
17234303 10.1016/j.ejmech.2006.12.003 Vero 1
17234303 10.1016/j.ejmech.2006.12.003 No relevant target 1

Data from ChEMBL 36 via Core Engine