Compound Detail
CHEMBL110154
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Basic Information
| ChEMBL ID | CHEMBL110154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYWLGCOVGGWHHO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
260.3
MW (Da)
2.60
ALogP
4
HBA
3
HBD
69.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 700.0 | nM | 6.16 | Spasmolytic activity in guinea pig ileum assessed as inhibition of spontaneous c... | 14987052 |
| Mus musculus | IC50 | = | 49000.0 | nM | 4.31 | Inhibitory activity against nitric oxide production in LPS-activated mouse perit... | 10714491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14987052 | 10.1021/np030303h | Ileum | 3 |
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 14987052 | 10.1021/np030303h | Calmodulin | 1 |
Data from ChEMBL 36 via Core Engine