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Compound Detail

CHEMBL273432

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Oc1ccccc1Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1

Basic Information

ChEMBL ID CHEMBL273432
Phase Preclinical
Structure Type MOL
InChI Key DCNFVKCZGQMLNO-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
4.57
ALogP
7
HBA
2
HBD
85.1
PSA (Ų)
0.48
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 C24H22FN5O2
MW 431.47
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.71

Activity Summary

IC50 3 meas. best 8.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.18 8.18 6.6 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17706839 10.1016/j.ejmech.2007.06.009 Mitogen-activated protein kinase 14 2
11354358 10.1016/s0960-894x(01)00163-9 Mitogen-activated protein kinase 14 1

Data from ChEMBL 36 via Core Engine