Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3099454

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COC(=O)c1cc(OC)c(OC)c(OC)c1-c1ccccc1C=C(C#N)C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3099454
Phase Preclinical
Structure Type MOL
InChI Key ZPAOATAMAVPHEB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
3.60
ALogP
7
HBA
0
HBD
101.6
PSA (Ų)
0.56
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 C21H18N2O5
MW 378.38
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.17

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