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Compound Detail

CHEMBL307180

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COC1=CC(=O)c2c(c(COC(N)=O)cn2C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL307180
Phase Preclinical
Structure Type MOL
InChI Key XOZZIQXTJJOXEU-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

264.2
MW (Da)
0.53
ALogP
6
HBA
1
HBD
100.6
PSA (Ų)
0.86
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 C12H12N2O5
MW 264.24
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 1.03

Activity Summary

IC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 7.4 6.46 40.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 40.0 nM 7.4 In vitro cytotoxicity against hypoxic V79-379A cells determined by MTT assay in ... 9667963
NON-PROTEIN TARGET IC50 = 3000.0 nM 5.52 In vitro cytotoxicity against hypoxic V79-379A cells determined by MTT assay in ... 9667963

Literature References

PubMed DOI Target Context # Activities
9240349 10.1021/jm9608422 V79 3
9667963 10.1021/jm970744w NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine