Compound Detail
CHEMBL329520
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Basic Information
| ChEMBL ID | CHEMBL329520 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTLRRKBJXAJHJD-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.29
ALogP
4
HBA
4
HBD
80.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ileum CHEMBL613680 | IC50 | 6.07 | 6.07 | 850.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ileum | IC50 | = | 850.0 | nM | 6.07 | Spasmolytic activity in guinea pig ileum assessed as inhibition of spontaneous c... | 14987052 |
| Mus musculus | IC50 | = | 32000.0 | nM | 4.5 | 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 |
| 8411012 | 10.1021/jm00072a015 | Tyrosine-protein kinase Lck | 1 |
| 10714491 | 10.1016/s0960-894x(99)00702-7 | Mus musculus | 1 |
| 14987052 | 10.1021/np030303h | Calmodulin | 1 |
| 24462176 | 10.1016/j.bmc.2014.01.008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine