Compound Detail
CHEMBL135574
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Basic Information
| ChEMBL ID | CHEMBL135574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYEBUIVINDPNBD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
441.4
MW (Da)
2.19
ALogP
9
HBA
3
HBD
142.7
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 9.39 | 9.39 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 0.41 | nM | 9.39 | Compound was evaluated for the in vitro inhibition of specific binding of [125I]... | 9784100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784100 | 10.1021/jm970690q | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine