Compound Detail
CHEMBL400912
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Basic Information
| ChEMBL ID | CHEMBL400912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVMRJFFCKYXQOK-CXUHLZMHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
304.1
MW (Da)
2.61
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
EC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL227 | IC50 | 5.17 | 5.17 | 6762.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.82 | 4.82 | 15236.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.75 | 4.75 | 17660.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 6762.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose Response screen for antagonists of Angiotensin II Recepto... | - |
| Unchecked | EC50 | = | 15236.0 | nM | 4.82 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Confirmation at Dose to Identify Trans... | - |
| ADMET | IC50 | = | 17660.0 | nM | 4.75 | Antiproliferative activity against human SK-MN-C cells by MTT assay | 18159922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18159922 | 10.1021/jm7012562 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine