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Compound Detail

CHEMBL5571896

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O=C(NCC(F)(F)F)c1ccc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)o1

Basic Information

ChEMBL ID CHEMBL5571896
Phase Preclinical
Structure Type MOL
InChI Key LKRDACZGICVELR-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

403.3
MW (Da)
4.92
ALogP
3
HBA
2
HBD
70.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13F4N3O2
MW 403.34
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.52

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK1
CHEMBL6006
IC50 8.7 8.55 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

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