Compound Detail
CHEMBL2079790
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CC1CC(=O)N(CC(=O)N(C)C)N=C1c1ccc2nc(C3CC3)n(Cc3ccc(-c4ccccc4-c4nn[n-]n4)cc3)c2c1.[K+]
Basic Information
| ChEMBL ID | CHEMBL2079790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARMUTPYJBOKNOL-UHFFFAOYSA-N |
| Parent Compound | CHEMBL432271 |
| Active Moiety | CHEMBL432271 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
587.7
MW (Da)
4.47
ALogP
8
HBA
1
HBD
125.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-1 angiotensin II receptor CHEMBL3948 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | IC50 | 8.54 | 7.895 | 2.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-1 angiotensin II receptor | IC50 | = | 2.0 | nM | 8.7 | Inhibitory activity against Angiotensin II receptor, type 1 induced contractions... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 2.9 | nM | 8.54 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
| Angiotensin II receptor (AT-1) type-1 | IC50 | = | 56.0 | nM | 7.25 | In vivo percent inhibition of Angiotensin II receptor, type 1 induced increase i... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80348-6 | Angiotensin II receptor (AT-1) type-1 | 2 |
| - | 10.1016/S0960-894X(01)80348-6 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine