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Compound Detail

CHEMBL2324717

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COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2324717
Phase Preclinical
Structure Type MOL
InChI Key DDVOBHQWUUJMEN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

288.3
MW (Da)
0.10
ALogP
5
HBA
1
HBD
92.8
PSA (Ų)
0.78
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 C14H12N2O5
MW 288.26
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.08

Literature References

PubMed DOI Target Context # Activities
23168019 10.1016/j.bmcl.2012.10.071 NON-PROTEIN TARGET 1
23168019 10.1016/j.bmcl.2012.10.071 T-cell 1
23168019 10.1016/j.bmcl.2012.10.071 PBMC 1

Data from ChEMBL 36 via Core Engine