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Compound Detail

CHEMBL5620322

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CC1(N)CCN(c2cnc(Sc3cccc(NC(=O)Cc4ccccc4)c3Cl)cn2)CC1

Basic Information

ChEMBL ID CHEMBL5620322
Phase Preclinical
Structure Type MOL
InChI Key PVZAYTRLUIAGJL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

468.0
MW (Da)
4.78
ALogP
6
HBA
2
HBD
84.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26ClN5OS
MW 468.03
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.41

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 11
CHEMBL3864
IC50 7.3 7.3 49.8 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39303516 10.1016/j.ejmech.2024.116830 Tyrosine-protein phosphatase non-receptor type 11 1

Data from ChEMBL 36 via Core Engine