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Compound Detail

CHEMBL346187

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NC(Cc1snc(O)c1Br)C(=O)O

Basic Information

ChEMBL ID CHEMBL346187
Phase Preclinical
Structure Type MOL
InChI Key SQDFCMSNQXZXAS-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

267.1
MW (Da)
0.57
ALogP
5
HBA
3
HBD
96.4
PSA (Ų)
0.74
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 C6H7BrN2O3S
MW 267.10
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.11

Activity Summary

EC50 1 meas.
IC50 1 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
IC50 4.77 4.77 17000.0 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

Data from ChEMBL 36 via Core Engine