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Compound Detail

CHEMBL5558606

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CCn1cc(-c2ccc3c(c2)CCN3C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(=O)[nH]cnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5558606
Phase Preclinical
Structure Type MOL
InChI Key AKPDHMVEDGOXII-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.5
MW (Da)
4.44
ALogP
5
HBA
1
HBD
80.2
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H21F3N4O3
MW 482.46
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.25

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