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Compound Detail

CHEMBL5542791

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NC(=O)c1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)ccc1N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5542791
Phase Preclinical
Structure Type MOL
InChI Key KPJOCFZLQSVUDI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

455.4
MW (Da)
4.07
ALogP
4
HBA
2
HBD
98.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H20F3N3O3
MW 455.44
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.06

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