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Compound Detail

CHEMBL1094775

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O=C(c1ccccc1)c1n[nH]c2c1C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1094775
Phase Preclinical
Structure Type MOL
InChI Key NZNNRDYLIVGMRW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

362.3
MW (Da)
2.35
ALogP
6
HBA
1
HBD
126.3
PSA (Ų)
0.33
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 C18H10N4O5
MW 362.30
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
20363629 10.1016/j.bmcl.2010.03.040 M-phase inducer phosphatase 2 1

Data from ChEMBL 36 via Core Engine