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Compound Detail

CHEMBL1522339

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CCC1SC(N)=NC1=O

Basic Information

ChEMBL ID CHEMBL1522339
Phase Preclinical
Structure Type MOL
InChI Key PSPSFWYKIZUQOO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

144.2
MW (Da)
0.35
ALogP
3
HBA
1
HBD
55.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C5H8N2OS
MW 144.20
Aromatic Rings 0
Heavy Atoms 9
NP-Likeness -0.91

Activity Summary

EC50 1 meas. best 4.21

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5'-AMP-activated protein kinase catalytic subunit alpha-2
CHEMBL4637
EC50 4.21 4.21 61500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23750537 10.1021/jm4001488 5'-AMP-activated protein kinase catalytic subunit alpha-2 4
23750537 10.1021/jm4001488 Unchecked 3
23750537 10.1021/jm4001488 L6 1

Data from ChEMBL 36 via Core Engine