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Compound Detail

CHEMBL5557333

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NC(=O)c1cccc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c1

Basic Information

ChEMBL ID CHEMBL5557333
Phase Preclinical
Structure Type MOL
InChI Key DPRYMNRPCLNLAQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

440.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
72.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H19F3N2O3
MW 440.42
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.26

Activity Summary

IC50 1 meas. best 6.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Receptor-interacting serine/threonine-protein kinase 1
CHEMBL5464
IC50 6.99 6.99 101.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38171150 10.1016/j.ejmech.2023.116076 Receptor-interacting serine/threonine-protein kinase 1 1

Data from ChEMBL 36 via Core Engine