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

CHEMBL1462869

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
COc1cc(CN/C(C)=C(\C#N)C(N)=O)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1462869
Phase Preclinical
Structure Type MOL
InChI Key URGRWBAQWQWSPE-PKNBQFBNSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

305.3
MW (Da)
1.08
ALogP
6
HBA
2
HBD
106.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19N3O4
MW 305.33
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.49

Activity Summary

IC50 1 meas. best 5.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
 IC50 5.14 5.14 7159.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 10 IC50 = 7159.0 nM 5.14 PUBCHEM_BIOASSAY: Dose response biochemical screening assay for inhibitors of c-... -

Data from ChEMBL 36 via Core Engine