Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL113918

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1cccc(C)c1N1C(=O)c2ccc([N+](=O)[O-])cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL113918
Phase Preclinical
Structure Type MOL
InChI Key DMRMQGCQZNLKHA-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

296.3
MW (Da)
3.01
ALogP
4
HBA
0
HBD
80.5
PSA (Ų)
0.48
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O4
MW 296.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.22

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9719582 10.1021/jm9608772 Rattus norvegicus 7
9719582 10.1021/jm9608772 Mus musculus 4
9719582 10.1021/jm9608772 ADMET 2
10098663 10.1016/s0960-894x(99)00034-7 Dipeptidyl peptidase 4 2
9719582 10.1021/jm9608772 Unchecked 1
10098663 10.1016/s0960-894x(99)00034-7 Aminopeptidase N 1
10098663 10.1016/s0960-894x(99)00034-7 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine