Compound Detail
CHEMBL409528
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NC(N)=NCCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)Nc1cccc2c1N[C@@H](Cc1ccc(O)cc1)C(=O)N(CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O)C2
Basic Information
| ChEMBL ID | CHEMBL409528 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQQTUXVOVJWGFO-IXPCYXQGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
994.1
MW (Da)
-0.71
ALogP
13
HBA
12
HBD
383.0
PSA (Ų)
0.02
QED
3
Ro5 Violations
23
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Type-2 angiotensin II receptor CHEMBL4607 | Ki | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Type-2 angiotensin II receptor | Ki | = | 2.8 | nM | 8.55 | Displacement of [125I]-Ang II from angiotensin II receptor type 2 in pig uterus ... | 15943474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15943474 | 10.1021/jm0491492 | Angiotensin II receptor (AT-1) type-1 | 1 |
| 15943474 | 10.1021/jm0491492 | Type-2 angiotensin II receptor | 1 |
| 15943474 | 10.1021/jm0491492 | NG108-15 | 1 |
Data from ChEMBL 36 via Core Engine