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Compound Detail

CHEMBL3350896

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C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3350896
Phase Preclinical
Structure Type BOTH
InChI Key NYSRSUOUMRCIKK-KANKLUHSSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names

Molecular Properties

1003.2
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H62N10O10S2
MW 1003.22

Activity Summary

IC50 8 meas. best 9.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 IC50 9.01 9.01 1.0 2
Somatostatin receptor type 2
CHEMBL1804
 IC50 6.74 6.74 183.0 2
Somatostatin receptor type 5
CHEMBL1792
 IC50 6.7 6.7 199.0 2
Somatostatin receptor type 3
CHEMBL2028
 IC50 6.05 6.05 897.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 IC50 = 0.98 nM 9.01 Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 4 IC50 = 0.98 nM 9.01 Binding affinity towards human somatostatin receptor type 4 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 2 IC50 = 183.0 nM 6.74 Binding affinity towards human Somatostatin receptor type 2 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 2 IC50 = 183.0 nM 6.74 Binding affinity towards human somatostatin receptor type 2 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 5 IC50 = 199.0 nM 6.7 Binding affinity towards human Somatostatin receptor type 5 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 5 IC50 = 199.0 nM 6.7 Binding affinity towards human somatostatin receptor type 5 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 3 IC50 = 897.0 nM 6.05 Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 3 IC50 = 897.0 nM 6.05 Binding affinity towards human somatostatin receptor type 3 using [125I][Leu8,D-... 14667214

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
14667214 10.1021/jm030245x Somatostatin receptor type 1 1
14667214 10.1021/jm030245x Somatostatin receptor type 2 1
14667214 10.1021/jm030245x Somatostatin receptor type 3 1
14667214 10.1021/jm030245x Somatostatin receptor type 4 1
14667214 10.1021/jm030245x Somatostatin receptor type 5 1

Data from ChEMBL 36 via Core Engine