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Compound Detail

CHEMBL5592269

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CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL5592269
Phase Preclinical
Structure Type MOL
InChI Key RHYJZGGFHWTVOJ-GUGUQBAMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1946.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C102H128N16O19S2
MW 1946.37

Activity Summary

IC50 1 meas. best 5.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ICOS-ICOSL
CHEMBL5482971
IC50 5.43 5.43 3680.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
ICOS-ICOSL IC50 = 3680.0 nM 5.43 Inhibition of ICOS/ICOSL (unknown origin) interaction by TR-FRET assay 38185345

Literature References

PubMed DOI Target Context # Activities
38185345 10.1016/j.bmcl.2024.129599 ICOS-ICOSL 2

Data from ChEMBL 36 via Core Engine