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Compound Detail

CHEMBL5280256

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C[C@H](C(=O)N[C@@H]1CCc2ccccc2[C@H]1S(C)(=O)=O)c1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5280256
Phase Preclinical
Structure Type MOL
InChI Key RATGRRGMMDHMRX-MJXNMMHHSA-N
1
Targets
1
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names

Molecular Properties

375.5
MW (Da)
3.15
ALogP
3
HBA
1
HBD
63.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22FNO3S
MW 375.47
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.72

Activity Summary

EC50 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Metabotropic glutamate receptor 7
CHEMBL3777
 EC50 7.55 7.55 28.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 2.0 mL.min-1.g-1 Homo sapiens
CL 55.0 mL.min-1.g-1 Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Metabotropic glutamate receptor 7 EC50 = 28.0 nM 7.55 Agonist activity at human mGluR7 expressed in CHO cells expressing CRE-Luc repor... 37077399

Literature References

PubMed DOI Target Context # Activities
37077399 10.1021/acsmedchemlett.2c00529 Metabotropic glutamate receptor 7 2
37077399 10.1021/acsmedchemlett.2c00529 ADMET 2

Data from ChEMBL 36 via Core Engine