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Compound Detail

CHEMBL327949

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CCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL327949
Phase Preclinical
Structure Type MOL
InChI Key MNHRKQKSNCFFOW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

367.4
MW (Da)
3.47
ALogP
6
HBA
1
HBD
64.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FN5O
MW 367.43
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.11

Activity Summary

IC50 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.1 7.1 79.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 79.0 nM 7.1 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
- 10.6019/CHEMBL3988181 Unchecked 1

Data from ChEMBL 36 via Core Engine