Compound Detail
CHEMBL542152
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Basic Information
| ChEMBL ID | CHEMBL542152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLJSCPOSPYQZTM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1191103 |
| Active Moiety | CHEMBL1191103 |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.8
MW (Da)
3.37
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.22
IC50 1 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | EC50 | 6.22 | 6.22 | 600.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.22 | 6.22 | 600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | EC50 | = | 600.0 | nM | 6.22 | Adenylase cyclase activity in rat striatal membranes | 7069713 |
| Rattus norvegicus | IC50 | = | 600.0 | nM | 6.22 | In vitro inhibition of dopamine stimulated production of [14C]-cAMP from [14C]-A... | 2878077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2878077 | 10.1021/jm00161a029 | Rattus norvegicus | 4 |
| 7069713 | 10.1021/jm00346a005 | Rattus norvegicus | 3 |
| 7069713 | 10.1021/jm00346a005 | Canis familiaris | 2 |
| 2878077 | 10.1021/jm00161a029 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine