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Compound Detail

CHEMBL5560728

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Nc1nc2cccc(-c3ccc4c(c3)CCN4C(=O)Cc3cccc(OC(F)(F)F)c3)n2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5560728
Phase Preclinical
Structure Type MOL
InChI Key ZDOYXZQHXYJFGN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
4.01
ALogP
6
HBA
1
HBD
85.8
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18F3N5O2
MW 453.42
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.62

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