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Compound Detail

CHEMBL5279534

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CCN1CCN(C(=O)c2ccc(Nc3ncc(C)c(-c4ccc5scnc5c4)n3)nc2)CC1

Basic Information

ChEMBL ID CHEMBL5279534
Phase Preclinical
Structure Type MOL
InChI Key QEWNDBARGCMPNH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.6
MW (Da)
3.98
ALogP
8
HBA
1
HBD
87.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N7OS
MW 459.58
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.95

Activity Summary

IC50 1 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 2
CHEMBL4376
IC50 6.3 6.3 498.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36800260 10.1021/acs.jmedchem.3c00106 Dual specificity tyrosine-phosphorylation-regulated kinase 2 1

Data from ChEMBL 36 via Core Engine