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Compound Detail

CHEMBL1310196

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Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1310196
Phase Preclinical
Structure Type MOL
InChI Key VBXGZWUYNBXRNM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

247.2
MW (Da)
2.14
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.66
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 C11H9N3O4
MW 247.21
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -2.40

Activity Summary

IC50 1 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 4.07 4.07 84882.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 84882.0 nM 4.07 PubChem BioAssay. Counterscreen for inhibitors of RecBCD: Absorbance-based cell-... -

Data from ChEMBL 36 via Core Engine