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Compound Detail

CHEMBL5870140

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O=C(CO)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)ccc3F)c(F)c2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5870140
Phase Preclinical
Structure Type MOL
InChI Key MPGYAWNJADTECC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

454.4
MW (Da)
4.60
ALogP
5
HBA
4
HBD
112.6
PSA (Ų)
0.42
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20F2N4O4
MW 454.43
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
 IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mitogen-activated protein kinase 14 IC50 = 28.0 nM 7.55 MAPK13 and MAPK14 enzyme assays: ach of these analogs were checked for physical ... -

Data from ChEMBL 36 via Core Engine