Compound Detail
CHEMBL399107
SOMAMIDE B Enter ChEMBL ID:
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C/C=C1\NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC)[C@@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)N(C)C(=O)[C@H](Cc2ccccc2)N2C(=O)[C@H](CC[C@H]2O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL399107 |
| Name | SOMAMIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QNGONASSDVVIFN-UAMDCIPZSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
919.0
MW (Da)
-0.06
ALogP
12
HBA
8
HBD
296.0
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.02 | 7.14 | 9.5 | 3 |
| Pancreatic elastase CHEMBL2096984 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 9.5 | nM | 8.02 | Inhibition of pig elastase | 17910513 |
| Unchecked | IC50 | = | 9.5 | nM | 8.02 | Inhibition of bovine alpha chymotrypsin | 18693761 |
| Unchecked | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of bovine alpha chymotrypsin | 17910513 |
| Pancreatic elastase | IC50 | = | 4200.0 | nM | 5.38 | Inhibition of pig pancreatic elastase | 18693761 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17910513 | 10.1021/np0702436 | Unchecked | 3 |
| 18693761 | 10.1021/np8002172 | Unchecked | 2 |
| 18693761 | 10.1021/np8002172 | Pancreatic elastase | 1 |
Data from ChEMBL 36 via Core Engine