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Compound Detail

CHEMBL286103

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C[C@@]12CC[C@H](CS(=O)(=O)c3nc[nH]n3)C[C@]1(C)CC(C(=O)O)NC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286103
Phase Preclinical
Structure Type MOL
InChI Key MQFAYNCEKGLLKI-JRWCODRMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.4
MW (Da)
0.84
ALogP
6
HBA
3
HBD
125.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H24N4O4S
MW 356.45
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 0.17

Activity Summary

IC50 1 meas. best 6.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic AMPA
CHEMBL2096670
 IC50 6.2 6.2 630.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic AMPA IC50 = 630.0 nM 6.2 Binding affinity against AMPA receptor using [3H]- AMPA radioligand -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(97)00239-4 Glutamate receptor ionotropic AMPA 1

Data from ChEMBL 36 via Core Engine