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Compound Detail

CHEMBL5195687

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CC(=O)N1CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4-c4n[nH]c(C)n4)n3)cc2C1

Basic Information

ChEMBL ID CHEMBL5195687
Phase Preclinical
Structure Type MOL
InChI Key XJQXZSJBGHTRBG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

475.0
MW (Da)
4.62
ALogP
7
HBA
3
HBD
111.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H23ClN8O
MW 474.96
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.75

Activity Summary

IC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein kinase receptor UFO
CHEMBL4895
IC50 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36325401 10.1039/d2md00153e Tyrosine-protein kinase receptor UFO 1

Data from ChEMBL 36 via Core Engine