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Compound Detail

CHEMBL2371455

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

Basic Information

ChEMBL ID CHEMBL2371455
Phase Preclinical
Structure Type BOTH
InChI Key JQZDMFCTDKSTTR-GWIXCWBUSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1055.2
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H74N14O10
MW 1055.25

Activity Summary

Kd 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Rattus norvegicus
CHEMBL376
Kd 7.1 7.1 79.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Rattus norvegicus Kd = 79.43 nM 7.1 Compound was tested for antagonist activity in rat isolated uterus assay; pA2 is... 4009600

Literature References

PubMed DOI Target Context # Activities
4009600 10.1021/jm00383a015 Rattus norvegicus 2

Data from ChEMBL 36 via Core Engine