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Compound Detail

CHEMBL5278425

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Cc1cnc(Nc2ccc(C(=O)N3CCNCC3)cn2)nc1-c1ccc2scnc2c1.Cl

Basic Information

ChEMBL ID CHEMBL5278425
Phase Preclinical
Structure Type MOL
InChI Key RSRHAKKBNYJZOD-UHFFFAOYSA-N
Parent Compound CHEMBL5315914
Active Moiety CHEMBL5315914
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
3.25
ALogP
8
HBA
2
HBD
95.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22ClN7OS
MW 467.99
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.77

Activity Summary

IC50 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dual specificity tyrosine-phosphorylation-regulated kinase 2
CHEMBL4376
IC50 6.45 6.45 357.0 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