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Compound Detail

CHEMBL3350357

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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H]([C@@H](C)c2ccc3ccccc3c2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350357
Phase Preclinical
Structure Type BOTH
InChI Key BCXQZFAVVLDMBN-QAMZGPAESA-N
5
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

1120.4
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C57H69N9O11S2
MW 1120.36

Activity Summary

IC50 9 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 IC50 8.64 8.55 2.3 2
Somatostatin receptor type 5
CHEMBL1792
 IC50 7.75 6.96 18.0 2
Somatostatin receptor type 3
CHEMBL2028
 IC50 7.75 6.965 18.0 2
Somatostatin receptor type 2
CHEMBL1804
 IC50 7.52 6.995 30.0 2
Somatostatin receptor type 1
CHEMBL1917
 IC50 6.39 6.39 410.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 IC50 = 2.3 nM 8.64 Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 4 IC50 = 3.5 nM 8.46 Binding affinity at human Somatostatin receptor type 4 by [125I][Leu8,D-Trp22,Ty... 14667213
Somatostatin receptor type 3 IC50 = 18.0 nM 7.75 Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 5 IC50 = 18.0 nM 7.75 Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 2 IC50 = 30.0 nM 7.52 Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 2 IC50 = 339.0 nM 6.47 Binding affinity at human Somatostatin receptor type 2 by [125I][Leu8,D-Trp22,Ty... 14667213
Somatostatin receptor type 1 IC50 = 410.0 nM 6.39 Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 3 IC50 = 664.0 nM 6.18 Binding affinity at human Somatostatin receptor type 3 by [125I][Leu8,D-Trp22,Ty... 14667213
Somatostatin receptor type 5 IC50 = 668.0 nM 6.17 Binding affinity at human Somatostatin receptor type 5 by [125I][Leu8,D-Trp22,Ty... 14667213

Literature References

PubMed DOI Target Context # Activities
14667215 10.1021/jm030246p Somatostatin receptor type 1 1
14667215 10.1021/jm030246p Somatostatin receptor type 2 1
14667215 10.1021/jm030246p Somatostatin receptor type 3 1
14667215 10.1021/jm030246p Somatostatin receptor type 4 1
14667215 10.1021/jm030246p Somatostatin receptor type 5 1
14667213 10.1021/jm0302445 Somatostatin receptor type 1 1
14667213 10.1021/jm0302445 Somatostatin receptor type 2 1
14667213 10.1021/jm0302445 Somatostatin receptor type 3 1
14667213 10.1021/jm0302445 Somatostatin receptor type 4 1
14667213 10.1021/jm0302445 Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine