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Compound Detail

CHEMBL2393416

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CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)n[nH]c1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2393416
Phase Preclinical
Structure Type MOL
InChI Key SSMPAMJXFRYVCC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.3
MW (Da)
1.85
ALogP
6
HBA
2
HBD
99.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17N3O4
MW 291.31
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
23566515 10.1016/j.bmcl.2013.03.019 Protein kinase C zeta type 2

Data from ChEMBL 36 via Core Engine