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Compound Detail

CHEMBL2234945

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Nc1oc2ccccc2c(=O)c1/C=N/Nc1ccc(C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2234945
Phase Preclinical
Structure Type MOL
InChI Key ONTNIOLFWQEALR-DJKKODMXSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

323.3
MW (Da)
2.52
ALogP
6
HBA
3
HBD
117.9
PSA (Ų)
0.50
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 C17H13N3O4
MW 323.31
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-011-9703-4 HL-60 1
- 10.1007/s00044-011-9703-4 NALM-6 1

Data from ChEMBL 36 via Core Engine