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Compound Detail

CHEMBL5994239

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COCCC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)ccc3F)c(F)c2)ccn1

Basic Information

ChEMBL ID CHEMBL5994239
Phase Preclinical
Structure Type MOL
InChI Key XLGXRHDCTAXJEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
5.65
ALogP
5
HBA
3
HBD
101.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H24F2N4O4
MW 482.49
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.44

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine