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Compound Detail

CHEMBL293443

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Nc1ncnc2scnc12

Basic Information

ChEMBL ID CHEMBL293443
Phase Preclinical
Structure Type MOL
InChI Key XLQTXFKCBDQZSN-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

152.2
MW (Da)
0.67
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H4N4S
MW 152.18
Aromatic Rings 2
Heavy Atoms 10
NP-Likeness -1.12

Activity Summary

IC50 1 meas.
Ki 1 meas. best 4.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphatidylinositol 4-kinase, PI4K
CHEMBL2096619
Ki 4.09 4.09 80600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphatidylinositol 4-kinase, PI4K Ki = 80600.0 nM 4.09 Binding affinity (Ki) against human phosphatidylinositol 4-kinase 2165159

Literature References

PubMed DOI Target Context # Activities
2165159 10.1021/jm00170a005 Phosphatidylinositol 4-kinase, PI4K 2

Data from ChEMBL 36 via Core Engine