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Compound Detail

CHEMBL407750

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CSc1cccc(CC[C@](N)(C(=O)O)C2C[C@@H]2C(=O)O)c1

Basic Information

ChEMBL ID CHEMBL407750
Phase Preclinical
Structure Type MOL
InChI Key IBGBDKHQABGZTA-CPNOVKFWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
1.84
ALogP
4
HBA
3
HBD
100.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H19NO4S
MW 309.39
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.05

Activity Summary

IC50 1 meas. best 6.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 410.0 nM 6.39 Binding affinity for Group II Metabotropic glutamate receptor was measured using... 9464367

Literature References

PubMed DOI Target Context # Activities
9464367 10.1021/jm970498o Unchecked 1

Data from ChEMBL 36 via Core Engine