Compound Detail
CHEMBL1203125
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Basic Information
| ChEMBL ID | CHEMBL1203125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JGLJVNWGCJMIKQ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL332946 |
| Active Moiety | CHEMBL332946 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
1.26
ALogP
7
HBA
2
HBD
103.5
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | Kd | 4.76 | 4.76 | 17378.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | Kd | = | 17378.01 | nM | 4.76 | spasmolytic activity in isolated guinea pig ileum preparation;- log KB; (Bacl2) | 6115059 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6115059 | 10.1021/jm00135a017 | Rattus norvegicus | 2 |
| 6115059 | 10.1021/jm00135a017 | Adrenergic receptor alpha-1 | 1 |
| 6115059 | 10.1021/jm00135a017 | Adrenergic receptor beta | 1 |
| 6115059 | 10.1021/jm00135a017 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine