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Compound Detail

CHEMBL5592880

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C#CCN1C(=O)S/C(=C\N(C)C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5592880
Phase Preclinical
Structure Type MOL
InChI Key HUWUHHNXDVGRNB-SREVYHEPSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.3
MW (Da)
0.72
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H10N2O2S
MW 210.26
Aromatic Rings 0
Heavy Atoms 14
NP-Likeness -2.01

Activity Summary

IC50 2 meas. best 6.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alpha amylase
CHEMBL6066863
 IC50 6.86 6.86 138.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Alpha amylase IC50 = 138.36 nM 6.86 Inhibition of alpha-amylase (unknown origin) using 1% starch as substrate preinc... 38943875

Literature References

PubMed DOI Target Context # Activities
38943875 10.1016/j.ejmech.2024.116623 Alpha amylase 2

Data from ChEMBL 36 via Core Engine