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Compound Detail

CHEMBL3580721

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CCOC(=O)/C=C/c1ccccc1OC(=O)c1nc(C)c(C)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580721
Phase Preclinical
Structure Type MOL
InChI Key PFPSLOPWDRWMGI-ZHACJKMWSA-N
0
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
3.20
ALogP
6
HBA
0
HBD
78.4
PSA (Ų)
0.47
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 C19H20N2O4
MW 340.38
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.36

Activity Summary

EC50 1 meas.
IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C4MD00022F NON-PROTEIN TARGET 10

Data from ChEMBL 36 via Core Engine