Compound Detail
CHEMBL4171381
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
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(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
Basic Information
| ChEMBL ID | CHEMBL4171381 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IMXKHFILKMPFGB-ZWYWTTNJSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1002.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.79
Ki 1 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.66 | 8.66 | 2.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.79 | 7.79 | 16.2 | 2 |
| GNAQ/GNA11 CHEMBL4523620 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
| Guanine nucleotide binding protein q polypeptide CHEMBL4523309 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 2.188 | nM | 8.66 | Displacement of [3H]-PSB15900 from human platelet membrane Gq incubated for 90 m... | 34197116 |
| 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 |
| GNAQ/GNA11 | IC50 | = | 32.0 | nM | 7.5 | Inhibition of Galphaq/11 (unknown origin) | 33715360 |
| Guanine nucleotide binding protein q polypeptide | IC50 | = | 33.0 | nM | 7.48 | Inhibition of Gq-mediated signalling in CHOK1 cells stably expressing M1 muscari... | 31841625 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29943987 | 10.1021/acs.jnatprod.8b00222 | Unchecked | 2 |
| 31841625 | 10.1021/acs.jmedchem.9b01452 | Guanine nucleotide binding protein q polypeptide | 1 |
| 33715360 | 10.1021/acs.jmedchem.0c01977 | GNAQ/GNA11 | 1 |
| 34197116 | 10.1021/acs.jnatprod.1c00194 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine