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

CHEMBL4556810

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
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NOCc2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4556810
Phase Preclinical
Structure Type MOL
InChI Key CNYSFCMUTMQWTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

399.4
MW (Da)
4.41
ALogP
5
HBA
1
HBD
65.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21N3O3
MW 399.45
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
27515719 10.1016/j.bmc.2016.08.002 HeLa 1
27515719 10.1016/j.bmc.2016.08.002 MCF7 1
27515719 10.1016/j.bmc.2016.08.002 A549 1
27515719 10.1016/j.bmc.2016.08.002 HEK-293T 1
27515719 10.1016/j.bmc.2016.08.002 Dual specificity mitogen-activated protein kinase kinase 1 1

Data from ChEMBL 36 via Core Engine