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Compound Detail

CHEMBL2402724

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CCOC(=O)c1c(-c2cc3cc4c(cc3oc2=O)OC(C)(C)CC4)nn(-c2ccccc2)c1C(=O)OCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2402724
Phase Preclinical
Structure Type MOL
InChI Key OZCQIQFOTKISEZ-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

516.5
MW (Da)
5.10
ALogP
9
HBA
0
HBD
109.9
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H28N2O7
MW 516.55
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -0.04

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