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Compound Detail

CHEMBL5574538

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CCCCCCn1c(S)nc2c1c(=O)[nH]c(=O)n2C

Basic Information

ChEMBL ID CHEMBL5574538
Phase Preclinical
Structure Type MOL
InChI Key UXIHCIYDMGYKSF-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
1.29
ALogP
6
HBA
2
HBD
72.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H18N4O2S
MW 282.37
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.40

Activity Summary

IC50 1 meas. best 7.56
Kd 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitogen-activated protein kinase 10
CHEMBL2637
IC50 7.56 7.56 27.7 1
Mitogen-activated protein kinase 10
CHEMBL2637
Kd 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
37722288 10.1016/j.ejmech.2023.115817 Mitogen-activated protein kinase 10 2

Data from ChEMBL 36 via Core Engine