Compound Detail
CHEMBL274817
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Basic Information
| ChEMBL ID | CHEMBL274817 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTMACVBTDNAUST-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
3.41
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor CHEMBL1907609 | IC50 | 7.01 | 7.01 | 98.0 | 1 |
| C-X-C chemokine receptor type 3 CHEMBL4441 | IC50 | 5.34 | 5.34 | 4570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor | IC50 | = | 98.0 | nM | 7.01 | Displacement of [3H]N-methylscopolamine from rat brain homogenate | 2785211 |
| C-X-C chemokine receptor type 3 | IC50 | = | 4570.0 | nM | 5.34 | Antagonist activity at human CXCR3 expressed in CHO cells assessed as inhibition... | 18922694 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2785211 | 10.1021/jm00125a021 | Muscarinic acetylcholine receptor | 1 |
| 18922694 | 10.1016/j.bmcl.2008.07.115 | C-X-C chemokine receptor type 3 | 1 |
Data from ChEMBL 36 via Core Engine