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Compound Detail

CHEMBL5572809

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C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N)nc4c3)cc12)c1cccc(F)c1

Basic Information

ChEMBL ID CHEMBL5572809
Phase Preclinical
Structure Type MOL
InChI Key XKILKXNEZNAICB-AWEZNQCLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
4.10
ALogP
6
HBA
2
HBD
90.2
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H21FN6O
MW 428.47
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 7.54 7.54 29.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38159286 10.1021/acs.jmedchem.3c02102 Receptor-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine