Compound Detail
CHEMBL341716
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Basic Information
| ChEMBL ID | CHEMBL341716 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNVWFUABLSEXTM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
389.4
MW (Da)
3.14
ALogP
6
HBA
4
HBD
141.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 7.1
Ki 1 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 7.1 | 7.1 | 79.4 | 1 |
| Oryctolagus cuniculus CHEMBL374 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Type-1 angiotensin II receptor CHEMBL3948 | Kd | 7.0 | 7.0 | 100.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Ki | 5.36 | 5.36 | 4400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 79.43 | nM | 7.1 | Inhibition of angiotensin II-induced contractions in rabbit aorta in vitro. | 8576904 |
| Oryctolagus cuniculus | Kd | = | 100.0 | nM | 7.0 | pA2 value determined by their ability to block AngII induced contractile respons... | - |
| Type-1 angiotensin II receptor | Kd | = | 100.0 | nM | 7.0 | Antagonist activity at angiotensin AT1 receptor in rabbit aorta | 21071232 |
| Angiotensin II receptor (AT-1) type-1 | Ki | = | 4400.0 | nM | 5.36 | In vitro antagonistic potency against Angiotensin II receptor, type 1 in rat adr... | 8576904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7799401 | 10.1021/jm00052a010 | Type-1 angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Oryctolagus cuniculus | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor | 1 |
| 8576904 | 10.1021/jm9504722 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)81121-5 | Oryctolagus cuniculus | 1 |
| 21071232 | 10.1016/j.bmc.2010.10.043 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine