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Compound Detail

CHEMBL426548

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C[C@@H](O)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)[C@@H](N)CNC(=O)CSCC[C@@H]1C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C)C(=O)O

Basic Information

ChEMBL ID CHEMBL426548
Phase Preclinical
Structure Type MOL
InChI Key OPAHOUGKNPZKRB-INVZVSJYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

1367.6
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H86N14O15S2
MW 1367.62

Activity Summary

IC50 1 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor
CHEMBL2111436
IC50 9.19 9.19 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor IC50 = 0.64 nM 9.19 Displacement of [125I-Tyr-11]-SRIF from SSTR of human NCI-H69 cell membranes 17315859

Literature References

PubMed DOI Target Context # Activities
17315859 10.1021/jm061290i Somatostatin receptor 1

Data from ChEMBL 36 via Core Engine