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Compound Detail

CHEMBL4440886

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COC(=O)c1ccc(COC(=O)c2cn[nH]c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4440886
Phase Preclinical
Structure Type MOL
InChI Key COMGCBYPFIALGV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

260.2
MW (Da)
1.55
ALogP
5
HBA
1
HBD
81.3
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O4
MW 260.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.82

Literature References

PubMed DOI Target Context # Activities
31282680 10.1021/acs.jmedchem.9b00809 Unchecked 2

Data from ChEMBL 36 via Core Engine