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Compound Detail

CHEMBL525231

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NC(=O)N/N=C1\C(=O)Nc2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL525231
Phase Preclinical
Structure Type MOL
InChI Key ZSKBCYKDAAURSU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

204.2
MW (Da)
0.01
ALogP
3
HBA
3
HBD
96.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8N4O2
MW 204.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.20

Literature References

PubMed DOI Target Context # Activities
19397322 10.1021/jm800861c NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine