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Compound Detail

CHEMBL411002

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CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1

Basic Information

ChEMBL ID CHEMBL411002
Phase Preclinical
Structure Type BOTH
InChI Key UKGIKHPFMXOGRF-UXDQVZPXSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

1649.0
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C83H105N15O17S2
MW 1648.97

Activity Summary

IC50 2 meas. best 7.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 1
CHEMBL1917
IC50 7.85 7.85 14.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15658864 10.1021/jm049520l Somatostatin receptor type 1 1
15658864 10.1021/jm049520l Somatostatin receptor type 2 1
15658864 10.1021/jm049520l Somatostatin receptor type 3 1
15658864 10.1021/jm049520l Somatostatin receptor type 4 1
15658864 10.1021/jm049520l Somatostatin receptor type 5 1
15658865 10.1021/jm049519m Somatostatin receptor type 1 1
15658865 10.1021/jm049519m Somatostatin receptor type 2 1
15658865 10.1021/jm049519m Somatostatin receptor type 3 1
15658865 10.1021/jm049519m Somatostatin receptor type 4 1
15658865 10.1021/jm049519m Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine