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Compound Detail

CHEMBL124057

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CC(=O)c1ccc2c(c1)n(C)c(=O)c1nnc(O)n12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL124057
Phase Preclinical
Structure Type MOL
InChI Key IZQCSGGASSXGGT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

258.2
MW (Da)
0.49
ALogP
7
HBA
1
HBD
89.5
PSA (Ų)
0.64
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 C12H10N4O3
MW 258.24
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -1.03

Activity Summary

IC50 1 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
 IC50 6.0 6.0 1000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 1000.0 nM 6.0 Concentration required to inhibit Antigen-induced release of Histamine from rat ... 2579236

Literature References

PubMed DOI Target Context # Activities
2579236 10.1021/jm00381a016 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine