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Compound Detail

CHEMBL3099453

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CCOC(=O)/C(C#N)=C/c1ccccc1-c1c(C(=O)OC)cc(OC)c(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099453
Phase Preclinical
Structure Type MOL
InChI Key DHYPOJXOZBTBRY-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
3.64
ALogP
8
HBA
0
HBD
104.1
PSA (Ų)
0.36
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO7
MW 425.44
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.24

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