Compound Detail
CHEMBL4170796
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C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H]([C@H](OC(=O)[C@@H](NC(=O)CC)[C@H](O)C(C)C)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C(C)C)[C@H](NC(=O)CCO)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL4170796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSCGSSWLDQOMNY-FKBPJTOHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1032.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.79 | 7.79 | 16.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16.22 | nM | 7.79 | Displacement of [3H]PSB-15900 from Gq (unknown origin) expressed in platelet cel... | 29943987 |
| Unchecked | IC50 | = | 16.22 | nM | 7.79 | Inhibition of Gq (unknown origin) coupled with muscarinic M1 receptor expressed ... | 29943987 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29943987 | 10.1021/acs.jnatprod.8b00222 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine