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Compound Detail

CHEMBL5935130

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CC(=O)Nc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)no3)c(F)c2)ccn1

Basic Information

ChEMBL ID CHEMBL5935130
Phase Preclinical
Structure Type MOL
InChI Key HNWUVGPTWJORJZ-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
4.90
ALogP
6
HBA
3
HBD
118.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22FN5O4
MW 427.44
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.73

Activity Summary

IC50 3 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 14
CHEMBL260
IC50 8.4 8.4 4.0 2
Mitogen-activated protein kinase 13
CHEMBL2939
IC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine