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Compound Detail

CHEMBL412392

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CCOc1ccc(C[C@H]2NC(=O)CC(CC)(CC)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL412392
Phase Preclinical
Structure Type MOL
InChI Key HAUODKFSJGOVIN-FYPSOLLUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

1067.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C50H74N12O10S2
MW 1067.35

Activity Summary

Ki 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vasopressin V2 receptor
CHEMBL3944
Ki 8.05 8.05 8.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2946863 10.1021/jm00162a001 Vasopressin V2 receptor 2
2946863 10.1021/jm00162a001 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine