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Compound Detail

CHEMBL125126

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O=C(O)c1ccc(-c2nn(-c3ccccc3)c3ccccc23)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL125126
Phase Preclinical
Structure Type MOL
InChI Key LLDIRAWJYVLFLS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.3
MW (Da)
3.98
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.62
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 C18H12N2O3
MW 304.31
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.92

Literature References

PubMed DOI Target Context # Activities
11606139 10.1021/jm010001h Unchecked 4

Data from ChEMBL 36 via Core Engine