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Compound Detail

CHEMBL311695

SEGLITIDE
🧪 Phase II
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🧪 Phase II
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL311695
Name SEGLITIDE
Phase Phase II
Structure Type BOTH
InChI Key NPJIOCBFOAHEDO-AVWFULIKSA-N

Known Names

L-363586 Seglitida Seglitide
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
16
Publications
3
Known Names

Molecular Properties

809.0
MW (Da)
1.97
ALogP
8
HBA
8
HBD
227.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Protein
Chirality Single Enantiomer
USAN Stem -tide
USAN Year 1987

Extended Properties

Molecular Formula C44H56N8O7
MW 808.98
Aromatic Rings 4
Heavy Atoms 59
NP-Likeness 0.89

Activity Summary

Ki 5 meas. best 10.1
IC50 3 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Somatostatin receptor type 2
CHEMBL1804
 Ki 10.1 9.81 0.1 2
Somatostatin receptor type 2
CHEMBL1804
 IC50 8.8 8.8 1.6 1
Somatostatin receptor type 5
CHEMBL1792
 Ki 7.9 7.9 12.6 1
Somatostatin receptor type 3
CHEMBL2028
 Ki 7.5 7.5 31.6 1
Somatostatin receptor type 5
CHEMBL1792
 IC50 7.09 7.09 81.0 1
Somatostatin receptor type 3
CHEMBL2028
 IC50 6.98 6.98 105.0 1
Somatostatin receptor type 4
CHEMBL1853
 Ki 5.5 5.5 3200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Somatostatin receptor type 2 Ki = 0.07943 nM 10.1 Binding affinity towards human Somatostatin receptor type 2 (sst2) using Tyr11-[... 12773038
Somatostatin receptor type 2 Ki = 0.3 nM 9.52 In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell... 9822540
Somatostatin receptor type 2 IC50 = 1.6 nM 8.8 Binding affinity to human sst2 by in vitro receptor autoradiography assay 24900340
Somatostatin receptor type 5 Ki = 12.59 nM 7.9 Binding affinity towards human Somatostatin receptor type 5 (sst5) using Tyr11-[... 12773038
Somatostatin receptor type 3 Ki = 31.62 nM 7.5 Binding affinity towards human Somatostatin receptor type 3 (sst3) using Tyr11-[... 12773038
Somatostatin receptor type 5 IC50 = 81.0 nM 7.09 Binding affinity to human sst5 by in vitro receptor autoradiography assay 24900340
Somatostatin receptor type 3 IC50 = 105.0 nM 6.98 Binding affinity to human sst3 by in vitro receptor autoradiography assay 24900340
Somatostatin receptor type 4 Ki = 3200.0 nM 5.5 In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells us... 9822540

Literature References

PubMed DOI Target Context # Activities
24900340 10.1021/ml200032v Somatostatin receptor type 2 2
8691440 10.1021/jm960281e Substance-P receptor 1
12773038 10.1021/jm021093t Somatostatin receptor type 1 1
12773038 10.1021/jm021093t Somatostatin receptor type 2 1
12773038 10.1021/jm021093t Somatostatin receptor type 3 1
12773038 10.1021/jm021093t Somatostatin receptor type 4 1
12773038 10.1021/jm021093t Somatostatin receptor type 5 1
7783129 10.1021/jm00011a017 Unchecked 1
9822540 10.1021/jm980118e Somatostatin receptor type 2 1
9822540 10.1021/jm980118e Somatostatin receptor type 4 1
18457386 10.1021/jm7015683 ATP-binding cassette sub-family C member 2 1
17417631 10.1038/nchembio873 Unchecked 1
24900340 10.1021/ml200032v Somatostatin receptor type 5 1
24900340 10.1021/ml200032v Somatostatin receptor type 4 1
24900340 10.1021/ml200032v Somatostatin receptor type 3 1
24900340 10.1021/ml200032v Somatostatin receptor type 1 1

Data from ChEMBL 36 via Core Engine