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Compound Detail

CHEMBL407097

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CCNCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@@H](C)CC)C(C)C

Basic Information

ChEMBL ID CHEMBL407097
Phase Preclinical
Structure Type BOTH
InChI Key YWSAOCSIKWUUHZ-JNYRXGABSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1030.2
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H75N13O10
MW 1030.24

Activity Summary

Kd 1 meas. best 6.9

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Kd 6.9 6.9 125.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Kd = 125.89 nM 6.9 Negative logarithm of the concentration of compound required to reduce the respo... 2455051

Literature References

PubMed DOI Target Context # Activities
2455051 10.1021/jm00402a028 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine