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Compound Detail

CHEMBL3272685

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CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

Basic Information

ChEMBL ID CHEMBL3272685
Phase Preclinical
Structure Type BOTH
InChI Key VUWULZZFQKASHC-FDISYFBBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1078.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H63N11O11S3
MW 1078.31

Activity Summary

Kd 1 meas. best 6.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Gallus gallus
CHEMBL613109
Kd 6.29 6.29 512.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Gallus gallus Kd = 512.86 nM 6.29 Inhibition of vasodepressor activity in conscious chicken 915905

Literature References

PubMed DOI Target Context # Activities
915905 10.1021/jm00221a018 No relevant target 3
915905 10.1021/jm00221a018 Oxytocin receptor 2
915905 10.1021/jm00221a018 Gallus gallus 1
915905 10.1021/jm00221a018 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine