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Compound Detail

CHEMBL3781591

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Cc1ccc(NCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3781591
Phase Preclinical
Structure Type MOL
InChI Key ZHBMHLPBRRDDFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

311.3
MW (Da)
2.57
ALogP
5
HBA
1
HBD
92.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13N3O4
MW 311.30
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.51

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00469A Ribosomal protein S6 kinase alpha-2 2

Data from ChEMBL 36 via Core Engine