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Compound Detail

CHEMBL375360

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CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

Basic Information

ChEMBL ID CHEMBL375360
Phase Preclinical
Structure Type BOTH
InChI Key SDJPEEZPMPFEON-YRVFCXMDSA-N
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1144.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H61N9O17S3
MW 1144.27

Activity Summary

EC50 2 meas. best 7.57
IC50 2 meas. best 7.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gastrin/cholecystokinin type B receptor
CHEMBL298
EC50 7.57 7.57 27.0 1
Gastrin/cholecystokinin type B receptor
CHEMBL298
IC50 7.57 7.57 26.9 1
Cholecystokinin receptor type A
CHEMBL1901
EC50 7.55 7.55 28.0 1
Cholecystokinin receptor type A
CHEMBL1901
IC50 7.55 7.55 28.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17201419 10.1021/jm061268p Cholecystokinin receptor type A 3
17201419 10.1021/jm061268p Gastrin/cholecystokinin type B receptor 3

Data from ChEMBL 36 via Core Engine