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Compound Detail

CHEMBL375913

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CCN1CNS(=O)(=O)c2cc(Cl)ccc21

Basic Information

ChEMBL ID CHEMBL375913
Phase Preclinical
Structure Type MOL
InChI Key GIJBOCHXNWQHOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

246.7
MW (Da)
1.42
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.82
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 C9H11ClN2O2S
MW 246.72
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.08

Activity Summary

EC50 1 meas. best 4.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 4.55 4.55 28000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 28000.0 nM 4.55 Activity at Wistar rat cortex AMPA receptor expressed in Xenopus laevis oocytes ... 17552506

Literature References

PubMed DOI Target Context # Activities
17552506 10.1021/jm070120i Unchecked 4
18980844 10.1016/j.bmc.2008.10.036 Unchecked 3
20108934 10.1021/jm901495t Oocyte 2
17552506 10.1021/jm070120i Hippocampus 1
20108934 10.1021/jm901495t No relevant target 1
20108934 10.1021/jm901495t Liver microsomes 1

Data from ChEMBL 36 via Core Engine