Compound Detail
CHEMBL442494
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CSCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)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)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC1=O
Basic Information
| ChEMBL ID | CHEMBL442494 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GGYTXJNZMFRSLX-OKOIUDDXSA-N |
6
Targets
52
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
3148.6
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 45 meas. best 8.96
Ki 5 meas. best 9.51
EC50 2 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CHO-K1 CHEMBL614031 | EC50 | 9.74 | 9.425 | 0.2 | 2 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 9.51 | 9.51 | 0.3 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 9.4 | 9.4 | 0.4 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 8.96 | 8.5422 | 1.1 | 9 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 8.89 | 8.89 | 1.3 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.8 | 8.6356 | 1.6 | 9 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 8.72 | 8.6056 | 1.9 | 9 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.7 | 8.5967 | 2.0 | 9 |
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 8.68 | 8.6044 | 2.1 | 9 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 8.27 | 8.27 | 5.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658864 | 10.1021/jm049520l | CHO-K1 | 4 |
| 18410083 | 10.1021/jm701445q | Somatostatin receptor type 2 | 2 |
| 18543899 | 10.1021/jm701618q | Somatostatin receptor type 2 | 2 |
| 19351180 | 10.1021/jm801314f | Somatostatin receptor type 1 | 2 |
| 10522693 | 10.1016/s0960-894x(99)00477-1 | Muscarinic acetylcholine receptor M1 | 2 |
| 10522693 | 10.1016/s0960-894x(99)00477-1 | Muscarinic acetylcholine receptor M2 | 2 |
| 10522693 | 10.1016/s0960-894x(99)00477-1 | Muscarinic acetylcholine receptor M3 | 2 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 2 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 4 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 3 | 1 |
| 18210999 | 10.1021/jm070886i | Somatostatin receptor type 1 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 5 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 4 | 1 |
| 15658864 | 10.1021/jm049520l | Somatostatin receptor type 3 | 1 |
| 11312929 | 10.1021/jm0005048 | Somatostatin receptor type 1 | 1 |
| 24900340 | 10.1021/ml200032v | Somatostatin receptor type 1 | 1 |
| 11312929 | 10.1021/jm0005048 | Somatostatin receptor | 1 |
| 11312929 | 10.1021/jm0005048 | Somatostatin receptor type 5 | 1 |
| 11312929 | 10.1021/jm0005048 | Somatostatin receptor type 4 | 1 |
| 11312929 | 10.1021/jm0005048 | Somatostatin receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine