Compound Detail
CHEMBL1201899
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CC(C)(CNS(=O)(=O)c1ccccc1)NCC(O)COC(=O)c1ccccc1F.O=C(O)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL1201899 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHBURZWCDLJQHF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL267398 |
| Active Moiety | CHEMBL267398 |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
424.5
MW (Da)
1.69
ALogP
6
HBA
3
HBD
104.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor beta CHEMBL2094118 | Kd | 7.9 | 7.45 | 12.6 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.25 | hr | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor beta | Kd | = | 12.59 | nM | 7.9 | In vitro blocking of beta adrenergic receptor in guinea pig trachea | 6146718 |
| Adrenergic receptor beta | Kd | = | 100.0 | nM | 7.0 | In Vitro inhibition of the beta adrenergic receptor in guinea pig atria | 6146718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6146718 | 10.1021/jm00374a013 | Canis familiaris | 3 |
| 6146718 | 10.1021/jm00374a013 | Adrenergic receptor beta | 2 |
| 6146718 | 10.1021/jm00374a013 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine