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Compound Detail

CHEMBL5760180

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Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5760180
Phase Preclinical
Structure Type MOL
InChI Key SZWFRYMHGAWGCD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

331.4
MW (Da)
4.61
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO3S
MW 331.44
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.46

Activity Summary

IC50 1 meas. best 4.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL4109
 IC50 4.48 4.48 33000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2C IC50 = 33000.0 nM 4.48 Cell-Based Assay: The assay involves using a cell line that expresses the NR1 su... -

Data from ChEMBL 36 via Core Engine