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Compound Detail

CHEMBL358019

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Cc1snc(O)c1CC(N)C(=O)O

Basic Information

ChEMBL ID CHEMBL358019
Phase Preclinical
Structure Type MOL
InChI Key OPKPBXNFBGXDSB-UHFFFAOYSA-N
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

202.2
MW (Da)
0.11
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C7H10N2O3S
MW 202.24
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.05

Activity Summary

EC50 1 meas. best 4.82
IC50 1 meas. best 5.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 5.75 5.75 1800.0 1
Rattus norvegicus
CHEMBL376
EC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9046343 10.1021/jm9607212 ADMET 3
9046343 10.1021/jm9607212 Glutamate receptor ionotropic, AMPA 1
9046343 10.1021/jm9607212 Rattus norvegicus 1
9046343 10.1021/jm9607212 Mus musculus 1

Data from ChEMBL 36 via Core Engine