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Compound Detail

CHEMBL278389

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O=C(/C=C/c1ccccc1)n1nc(-c2nc3ccccc3o2)oc1=O

Basic Information

ChEMBL ID CHEMBL278389
Phase Preclinical
Structure Type MOL
InChI Key XEHZTVIKCMKICE-ZHACJKMWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.3
MW (Da)
3.00
ALogP
7
HBA
0
HBD
91.1
PSA (Ų)
0.54
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 C18H11N3O4
MW 333.30
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.85

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus IC50 = 15000.0 nM 4.82 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 2

Data from ChEMBL 36 via Core Engine