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

CHEMBL329080

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
O[C@H]1CC[C@H](n2cnc(-c3ccc(F)cc3)c2-c2ccnc(Oc3ccccc3)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL329080
Phase Preclinical
Structure Type MOL
InChI Key QCCHTJJIGJZMFN-MXVIHJGJSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
5.41
ALogP
6
HBA
1
HBD
73.1
PSA (Ų)
0.46
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H23FN4O2
MW 430.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.92 7.92 12.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 12.0 nM 7.92 Inhibition against Mitogen-activated protein kinase p38 alpha 11597418

Literature References

PubMed DOI Target Context # Activities
11597418 10.1016/s0960-894x(01)00570-4 Mitogen-activated protein kinase 14 2

Data from ChEMBL 36 via Core Engine