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Compound Detail

CHEMBL5904685

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COc1cc2nn(CC(=O)N3CCC(F)(F)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5904685
Phase Preclinical
Structure Type MOL
InChI Key PNZBPFYGSROYPI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

483.4
MW (Da)
3.58
ALogP
6
HBA
1
HBD
89.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18F5N5O3
MW 483.40
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Interleukin-1 receptor-associated kinase 4
CHEMBL3778
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Interleukin-1 receptor-associated kinase 4 IC50 = 18.0 nM 7.75 Kinase Assay: For the assay, 11 different concentrations in the range from 20 μM... -

Data from ChEMBL 36 via Core Engine