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Compound Detail

CHEMBL3580725

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CCOC(=O)/C=C/c1ccc(OC)c(OC(=O)c2nc(C)c(C)nc2C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3580725
Phase Preclinical
Structure Type MOL
InChI Key QWNRXCZNUSUENT-CSKARUKUSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.21
ALogP
7
HBA
0
HBD
87.6
PSA (Ų)
0.44
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 C20H22N2O5
MW 370.41
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.11

Activity Summary

EC50 1 meas. best 4.52
IC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 4.52 4.52 29900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 29900.0 nM 4.52 Cytoprotective activity against H2O2-induced cytotoxicity in human EAhy926 cells... -

Literature References

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

Data from ChEMBL 36 via Core Engine