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Compound Detail

CHEMBL5597086

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CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc4c3Oc3ccccc3N4)c(F)c2)c(=O)c(-c2ccc(F)cc2)c1

Basic Information

ChEMBL ID CHEMBL5597086
Phase Preclinical
Structure Type MOL
InChI Key IVRKZMDXSUEQLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

566.6
MW (Da)
7.66
ALogP
7
HBA
2
HBD
94.5
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H24F2N4O4
MW 566.56
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -0.97

Activity Summary

IC50 1 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 8.15 8.15 7.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein kinase receptor UFO IC50 = 7.0 nM 8.15 Inhibition of AXL (unknown origin) 38733884

Literature References

PubMed DOI Target Context # Activities
38733884 10.1016/j.ejmech.2024.116477 Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine