Compound Detail
CHEMBL358611
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Basic Information
| ChEMBL ID | CHEMBL358611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YQIRTUMMKMHRAP-NTCAYCPXSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
303.3
MW (Da)
2.95
ALogP
6
HBA
1
HBD
97.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.64
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Cavia porcellus CHEMBL369 | EC50 | 4.64 | 4.64 | 22800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of carbachol-induced tonic contractile response in guinea pig ileal l... | 9484501 |
| Cavia porcellus | EC50 | = | 22800.0 | nM | 4.64 | Compound was tested for calcium channel agonistic activity, causing a 50% increa... | 9484501 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9484501 | 10.1021/jm9704006 | Cavia porcellus | 2 |
Data from ChEMBL 36 via Core Engine