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Compound Detail

CHEMBL38326

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O=C1c2ccccc2C(=O)N1CNc1ccccc1

Basic Information

ChEMBL ID CHEMBL38326
Phase Preclinical
Structure Type MOL
InChI Key YQBGAGYLFPRNEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

252.3
MW (Da)
2.35
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2O2
MW 252.27
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.98

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9944-2 Radical scavenging activity 6
- 10.1007/s00044-011-9944-2 NON-PROTEIN TARGET 6
- 10.1007/s00044-011-9944-2 Aspergillus oryzae 3
- 10.1007/s00044-011-9944-2 Salmonella typhi 3
- 10.1007/s00044-011-9944-2 Bacillus subtilis 2
- 10.1007/s00044-011-9944-2 Escherichia coli 2
- 10.1039/C5MD00469A Ribosomal protein S6 kinase alpha-2 2
- 10.1016/S0960-894X(97)00249-7 Androgen receptor 1
- 10.1016/S0960-894X(97)00249-7 SC-3 1
- 10.1016/S0960-894X(97)00249-7 HL-60 1
- 10.1007/s00044-011-9944-2 Aspergillus fumigatus 1

Data from ChEMBL 36 via Core Engine