Compound Detail
CHEMBL3251781
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Basic Information
| ChEMBL ID | CHEMBL3251781 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMUBONKMWLHHQV-CFILVAQYSA-N |
| Parent Compound | CHEMBL3303757 |
| Active Moiety | CHEMBL3303757 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
2.66
ALogP
5
HBA
2
HBD
60.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Felis catus CHEMBL612670 | Kd | 6.66 | 6.66 | 218.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Felis catus | Kd | = | 218.78 | nM | 6.66 | In vivo inhibition of beta-1 adrenoceptor in vagotomized cat assessed as inhibit... | 27636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27636 | 10.1021/jm00205a016 | Felis catus | 3 |
| 27636 | 10.1021/jm00205a016 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine