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Compound Detail

CHEMBL88925

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Fc1ccc(-c2cc(-c3ccc(Cl)cc3)oc2-c2ccncc2)cc1

Basic Information

ChEMBL ID CHEMBL88925
Phase Preclinical
Structure Type MOL
InChI Key XMEBUFZUJWSUHD-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
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 2 meas. best 6.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 6.28 6.28 530.0 1
Mitogen-activated protein kinase 14
CHEMBL4825
IC50 6.28 6.28 530.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873604 10.1016/s0960-894x(98)00495-8 Mitogen-activated protein kinase 14 1
19301816 10.1021/jm801467h Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine