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Compound Detail

CHEMBL283153

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CC(=O)n1nc(-c2nc3ccccc3o2)oc1=O

Basic Information

ChEMBL ID CHEMBL283153
Phase Preclinical
Structure Type MOL
InChI Key JGOQCWNWVJDTCC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.2
MW (Da)
1.30
ALogP
7
HBA
0
HBD
91.1
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 C11H7N3O4
MW 245.19
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.20

Activity Summary

IC50 1 meas. best 5.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 5.85 5.85 1400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 1400.0 nM 5.85 Concentration required to inhibit antigen-induced release of histamine (AIR) by ... 6198518

Literature References

PubMed DOI Target Context # Activities
6198518 10.1021/jm00368a004 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine