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Compound Detail

CHEMBL452157

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C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)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 CHEMBL452157
Phase Preclinical
Structure Type BOTH
InChI Key PJRZZHKHLDKTKL-OCZUONHDSA-N
5
Targets
31
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

1079.3
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C54H66N10O10S2
MW 1079.32

Activity Summary

IC50 30 meas. best 8.74
EC50 1 meas. best 8.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 4
CHEMBL1853
 IC50 8.74 8.74 1.8 6
Somatostatin receptor type 5
CHEMBL1792
 IC50 8.59 7.5483 2.6 6
Somatostatin receptor type 3
CHEMBL2028
 EC50 8.48 8.48 3.3 1
Somatostatin receptor type 3
CHEMBL2028
 IC50 7.89 7.89 13.0 6
Somatostatin receptor type 1
CHEMBL1917
 IC50 7.57 7.57 27.0 6
Somatostatin receptor type 2
CHEMBL1804
 IC50 7.39 7.39 41.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Binding affinity towards human Somatostatin receptor type 4 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Binding affinity towards human somatostatin receptor type 4 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... 15658865
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst4 recep... 18410084
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Displacement of [125I]LTT-SRIF-28 from human sst4 receptor by autoradiography 19351180
Somatostatin receptor type 4 IC50 = 1.8 nM 8.74 Displacement of 125I-[LTT]-SRIF-28 from human sst4 receptor in CCL39 cells after... 21806016
Somatostatin receptor type 5 IC50 = 2.6 nM 8.59 Displacement of 125I-[LTT]-SRIF-28 from human sst5 receptor in HEK293 cells afte... 21806016
Somatostatin receptor type 3 EC50 = 3.33 nM 8.48 Agonist activity at human sst3 receptor expressed in CCL39 cells after 5 hrs by ... 21806016
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Binding affinity towards human Somatostatin receptor type 3 using 125I-[Leu8,DTr... 14667215
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Displacement of 125I-[LTT]-SRIF-28 from human sst3 receptor in CCL39 cells after... 21806016
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Displacement of [125I]LTT-SRIF-28 from human sst3 receptor by autoradiography 19351180
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF-28 from human cloned sst3 recep... 18410084
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... 15658865
Somatostatin receptor type 3 IC50 = 13.0 nM 7.89 Binding affinity towards human somatostatin receptor type 3 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Displacement of 125I-[LTT]-SRIF-28 from human sst1 receptor in CHO cells after 2... 21806016
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Binding affinity towards human somatostatin receptor type 1 using [125I][Leu8,D-... 14667214
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Displacement of [125I]LTT-SRIF-28 from human sst1 receptor by autoradiography 19351180
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Displacement of [125I]-[Leu8, DTrp22, Tyr25]SRIF28 from human cloned sst1 recept... 18410084
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Inhibition of 125I-[Leu8,D-Trp22,Tyr25]SRIF-28 binding to human somatostatin rec... 15658865
Somatostatin receptor type 1 IC50 = 27.0 nM 7.57 Binding affinity towards human Somatostatin receptor type 1 using 125I-[Leu8,DTr... 14667215

Literature References

PubMed DOI Target Context # Activities
21806016 10.1021/jm200307v Somatostatin receptor type 3 3
15658865 10.1021/jm049519m Rattus norvegicus 3
15658865 10.1021/jm049519m Somatostatin receptor type 1 1
21806016 10.1021/jm200307v Somatostatin receptor type 5 1
18410084 10.1021/jm701444y Somatostatin receptor type 3 1
18410084 10.1021/jm701444y Somatostatin receptor type 2 1
18410084 10.1021/jm701444y Somatostatin receptor type 1 1
15658865 10.1021/jm049519m Somatostatin receptor type 5 1
15658865 10.1021/jm049519m Somatostatin receptor type 4 1
15658865 10.1021/jm049519m Somatostatin receptor type 3 1
15658865 10.1021/jm049519m Somatostatin receptor type 2 1
14667215 10.1021/jm030246p Somatostatin receptor type 1 1
14667214 10.1021/jm030245x Somatostatin receptor type 5 1
14667214 10.1021/jm030245x Somatostatin receptor type 4 1
14667214 10.1021/jm030245x Somatostatin receptor type 3 1
14667214 10.1021/jm030245x Somatostatin receptor type 2 1
14667214 10.1021/jm030245x Somatostatin receptor type 1 1
14667215 10.1021/jm030246p Somatostatin receptor type 5 1
14667215 10.1021/jm030246p Somatostatin receptor type 4 1
14667215 10.1021/jm030246p Somatostatin receptor type 3 1

Data from ChEMBL 36 via Core Engine