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Compound Detail

CHEMBL5944420

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Cc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5944420
Phase Preclinical
Structure Type MOL
InChI Key HPJIZPQYDGHICF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

393.5
MW (Da)
5.97
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23NO3S
MW 393.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.30

Activity Summary

IC50 1 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 2C
CHEMBL4109
 IC50 4.8 4.8 16000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Glutamate receptor ionotropic, NMDA 2C IC50 = 16000.0 nM 4.8 Cell-Based Assay: The assay involves using a cell line that expresses the NR1 su... -

Data from ChEMBL 36 via Core Engine