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Compound Detail

CHEMBL8222

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COC(=O)c1cc(Nc2ccccc2)c(Nc2ccccc2)cc1C(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8222
Phase Preclinical
Structure Type MOL
InChI Key WJWUNGQMBUGZHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.75
ALogP
6
HBA
2
HBD
76.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20N2O4
MW 376.41
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.36

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 1
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1

Data from ChEMBL 36 via Core Engine