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Compound Detail

CHEMBL91459

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Fc1ccc(-c2oc(-c3ccc(Cl)cc3)cc2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL91459
Phase Preclinical
Structure Type MOL
InChI Key VFUJKZPVGRYZQX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
6.47
ALogP
2
HBA
0
HBD
26.0
PSA (Ų)
0.42
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 C21H13ClFNO
MW 349.79
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.62

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL4825
IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 630.0 nM 6.2 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