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Compound Detail

CHEMBL5590760

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O=C(NCCN1CCNCC1)c1cc(-c2cnc3[nH]c(-c4ccc(F)cc4)cc3c2)cs1

Basic Information

ChEMBL ID CHEMBL5590760
Phase Preclinical
Structure Type MOL
InChI Key RLAROMMNQNOOBR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

449.6
MW (Da)
3.73
ALogP
5
HBA
3
HBD
73.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H24FN5OS
MW 449.56
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.58

Activity Summary

IC50 1 meas. best 5.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase ULK1
CHEMBL6006
IC50 5.7 5.7 1995.3 1

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