Compound Detail
CHEMBL12598
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL12598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROMXFLGODKSYPF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
5.38
ALogP
4
HBA
1
HBD
68.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.62
Kd 1 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | Kd | 7.1 | 7.1 | 79.4 | 1 |
| Angiotensin II receptor CHEMBL2094112 | IC50 | 6.62 | 6.62 | 240.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | Kd | = | 79.43 | nM | 7.1 | Antagonism of AII-contracted rabbit aortic rings | - |
| Angiotensin II receptor | IC50 | = | 240.0 | nM | 6.62 | Inhibition of [125I]- AII binding to rat uterine membrane angiotensin II recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81130-6 | Angiotensin II receptor | 1 |
| - | 10.1016/S0960-894X(01)81130-6 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine