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Compound Detail

CHEMBL2234944

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COC(=O)N/N=C/c1c(N)oc2ccccc2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2234944
Phase Preclinical
Structure Type MOL
InChI Key JUCZCBHKIAFYDF-MKMNVTDBSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

261.2
MW (Da)
1.07
ALogP
6
HBA
2
HBD
106.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3O4
MW 261.24
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.80

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