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Compound Detail

CHEMBL5590861

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O=C(NCC(F)(F)F)c1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590861
Phase Preclinical
Structure Type MOL
InChI Key OUXBHOILAQLYID-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

419.4
MW (Da)
5.39
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.44
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F4N3OS
MW 419.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.48

Literature References

PubMed DOI Target Context # Activities
38232465 10.1016/j.ejmech.2023.116101 Serine/threonine-protein kinase ULK1 3
38232465 10.1016/j.ejmech.2023.116101 No relevant target 1

Data from ChEMBL 36 via Core Engine