Compound Detail
CHEMBL307868
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CC(C)C[C@H](NC(=O)NC1OC(C(=O)NC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL307868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRVWRZAXVNPNKR-RPMRCYMZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
949.9
MW (Da)
-6.01
ALogP
17
HBA
16
HBD
421.3
PSA (Ų)
0.06
QED
3
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.26 | 6.26 | 550.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.98 | 5.98 | 1040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 550.0 | nM | 6.26 | Compound was tested in vitro for inhibiting electrically stimulated muscle contr... | - |
| Cavia porcellus | IC50 | = | 1040.0 | nM | 5.98 | Compound was tested in vitro for inhibiting electrically stimulated muscle contr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00395-8 | Cavia porcellus | 2 |
| - | 10.1016/S0960-894X(97)00395-8 | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine