Compound Detail
CHEMBL2370903
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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC)C(C)C)[C@@H](C)OC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2370903 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FTQZNMJFBNHZJO-JTYWTGPQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
970.1
MW (Da)
-2.11
ALogP
13
HBA
12
HBD
366.8
PSA (Ų)
0.02
QED
3
Ro5 Violations
28
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 9.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.5 | 9.5 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.3162 | nM | 9.5 | Competitive antagonist at angiotensin 2 receptor in rabbit aorta assessed as rig... | 894674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 894674 | 10.1021/jm00218a012 | Rattus norvegicus | 9 |
| 894674 | 10.1021/jm00218a012 | No relevant target | 4 |
| 894674 | 10.1021/jm00218a012 | Unchecked | 3 |
| 2913307 | 10.1021/jm00122a030 | Type-2 angiotensin II receptor | 2 |
| 2913307 | 10.1021/jm00122a030 | Oryctolagus cuniculus | 1 |
| 2913307 | 10.1021/jm00122a030 | Rattus norvegicus | 1 |
| 894674 | 10.1021/jm00218a012 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine