Compound Detail
CHEMBL2079787
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CN(C)C(=O)CN1N=C(c2ccc3nc(C4CC4)n(Cc4ccc(-c5ccccc5-c5nn[n-]n5)cc4)c3c2)C(C)(C)CC1=O.[K+]
Basic Information
| ChEMBL ID | CHEMBL2079787 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTXYJFZUVXYNJD-UHFFFAOYSA-N |
| Parent Compound | CHEMBL432847 |
| Active Moiety | CHEMBL432847 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
601.7
MW (Da)
4.86
ALogP
8
HBA
1
HBD
125.3
PSA (Ų)
0.27
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 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 | 8.33 | 8.33 | 4.7 | 1 |
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 | = | 4.7 | nM | 8.33 | Concentration required for 50% inhibition of binding against Angiotensin II rece... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80348-6 | Angiotensin II receptor (AT-1) type-1 | 1 |
| - | 10.1016/S0960-894X(01)80348-6 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine