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Compound Detail

CHEMBL430301

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CN(C(=O)c1cccc(N=[N+]=[N-])c1)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O

Basic Information

ChEMBL ID CHEMBL430301
Phase Preclinical
Structure Type MOL
InChI Key QQUZDSHJUKFNQK-VTWSTLNFSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1301.4
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C61H80N20O13
MW 1301.44

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Vasopressin V1a receptor
CHEMBL2868
Ki 7.75 7.75 17.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Vasopressin V1a receptor Ki = 17.8 nM 7.75 Inhibition constant for V1a receptor of rat liver membrane 8021923

Literature References

PubMed DOI Target Context # Activities
8021923 10.1021/jm00038a013 Vasopressin V1a receptor 1

Data from ChEMBL 36 via Core Engine