Compound Detail
CHEMBL518199
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C[C@H](N)COC(=O)[C@@H](CCCCN)NC(=O)Cc1c(-c2ccc3ccccc3c2)[nH]c2c1ccc1ccccc12
Basic Information
| ChEMBL ID | CHEMBL518199 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFVRGDRCCNEGBS-KCWXNJEJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
536.7
MW (Da)
5.19
ALogP
5
HBA
4
HBD
123.2
PSA (Ų)
0.14
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 0.4 | nM | 9.4 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombin... | 19067538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5058577 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | U2OS | 304 |
| - | 10.6019/CHEMBL5724801 | Fibroblast | 304 |
| - | 10.6019/CHEMBL5724801 | HEK-293T | 304 |
| - | 10.6019/CHEMBL5058577 | U2OS | 304 |
| - | 10.6019/CHEMBL5058577 | HEK-293T | 304 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4689842 | U2OS | 8 |
| - | 10.6019/CHEMBL5058564 | Fibroblast | 5 |
| - | 10.6019/CHEMBL5058564 | U2OS | 5 |
| - | 10.6019/CHEMBL5209801 | Glucagon-like peptide 1 receptor | 4 |
| - | 10.6019/CHEMBL5209801 | Type-1 angiotensin II receptor | 4 |
| - | 10.6019/CHEMBL5209801 | Free fatty acid receptor 4 | 4 |
| - | 10.6019/CHEMBL5209801 | Alpha-2A adrenergic receptor | 4 |
| - | 10.6019/CHEMBL5209801 | CX3C chemokine receptor 1 | 4 |
| - | 10.6019/CHEMBL5209801 | Beta-2 adrenergic receptor | 4 |
| - | 10.6019/CHEMBL5209801 | C5a anaphylatoxin chemotactic receptor 1 | 4 |
| - | 10.6019/CHEMBL5209801 | N-formyl peptide receptor 2 | 4 |
| - | 10.6019/CHEMBL5209801 | Glucose-dependent insulinotropic receptor | 4 |
Data from ChEMBL 36 via Core Engine