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Compound Detail

CHEMBL3099435

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CCOC(=O)/C(C#N)=C/c1cc2c(cc1-c1c(/C=C(\C#N)C(=O)OCC)cc(OC)c(OC)c1OC)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099435
Phase Preclinical
Structure Type MOL
InChI Key OKNFIFVOQUYPGK-GCBPPVMSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

534.5
MW (Da)
4.05
ALogP
11
HBA
0
HBD
146.3
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H26N2O9
MW 534.52
Aromatic Rings 2
Heavy Atoms 39
NP-Likeness 0.05

Literature References

PubMed DOI Target Context # Activities
24315191 10.1016/j.bmc.2013.11.018 Unchecked 1
24315191 10.1016/j.bmc.2013.11.018 NON-PROTEIN TARGET 1
24315191 10.1016/j.bmc.2013.11.018 KB 1
24315191 10.1016/j.bmc.2013.11.018 DU-145 1
24315191 10.1016/j.bmc.2013.11.018 A549 1

Data from ChEMBL 36 via Core Engine