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Compound Detail

CHEMBL3884308

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CCOC(=O)c1c2c(c(C)n1Cc1ccc(OC)cc1)-c1oncc1CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3884308
Phase Preclinical
Structure Type MOL
InChI Key ZPBVRQCDPVPUQF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.4
MW (Da)
3.78
ALogP
6
HBA
0
HBD
66.5
PSA (Ų)
0.64
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 C21H22N2O4
MW 366.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.77

Literature References

PubMed DOI Target Context # Activities
27643641 10.1016/j.ejmech.2016.09.013 NON-PROTEIN TARGET 10

Data from ChEMBL 36 via Core Engine