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Compound Detail

CHEMBL14478

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COc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1

Basic Information

ChEMBL ID CHEMBL14478
Phase Preclinical
Structure Type MOL
InChI Key BCCICFKLKIZIHQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
4.87
ALogP
7
HBA
1
HBD
74.1
PSA (Ų)
0.46
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24FN5O2
MW 445.50
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 7.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 7.8 7.8 15.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
11354358 10.1016/s0960-894x(01)00163-9 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine