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Compound Detail

CHEMBL2402722

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CCOC(=O)c1c(-c2cc3c(ccc4ccccc43)oc2=O)nn(-c2cccc(C)c2)c1C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402722
Phase Preclinical
Structure Type MOL
InChI Key JWLLCMGHKAKAEU-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
5.46
ALogP
8
HBA
0
HBD
100.6
PSA (Ų)
0.17
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H24N2O6
MW 496.52
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.75

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
23748152 10.1016/j.ejmech.2013.03.042 HeLa 1
23748152 10.1016/j.ejmech.2013.03.042 A549 1
23748152 10.1016/j.ejmech.2013.03.042 DU-145 1

Data from ChEMBL 36 via Core Engine