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Compound Detail

CHEMBL388249

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Cc1ccc(-c2nc[nH]c2CC(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL388249
Phase Preclinical
Structure Type MOL
InChI Key PCXYXFCITSSGNT-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

216.2
MW (Da)
2.01
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.82
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 C12H12N2O2
MW 216.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.51

Activity Summary

EC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
17655213 10.1021/jm070447j Unchecked 10

Data from ChEMBL 36 via Core Engine