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

CHEMBL91196

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
Oc1ccc(-c2[nH]c(-c3ccccc3)cc2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL91196
Phase Preclinical
Structure Type MOL
InChI Key DGBLAQLVJBSWLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
5.12
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N2O
MW 312.37
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.23

Activity Summary

IC50 1 meas. best 5.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL4825
IC50 5.62 5.62 2400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 2400.0 nM 5.62 Inhibitory potency evaluated against rat p38 kinase 9873604

Literature References

PubMed DOI Target Context # Activities
9873604 10.1016/s0960-894x(98)00495-8 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine