Compound Detail
CHEMBL3248822
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)C(C)(C)N)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3248822 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PMRNPMYRJNMMNB-QQUOXUDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
954.1
MW (Da)
-1.00
ALogP
12
HBA
13
HBD
369.0
PSA (Ų)
0.03
QED
3
Ro5 Violations
25
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.22 | 7.22 | 60.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 60.26 | nM | 7.22 | Competitive antagonist at angiotensin 2 receptor in rabbit aorta assessed as rig... | 894674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 894674 | 10.1021/jm00218a012 | No relevant target | 6 |
| 894674 | 10.1021/jm00218a012 | Rattus norvegicus | 5 |
| 894674 | 10.1021/jm00218a012 | Unchecked | 4 |
| 894674 | 10.1021/jm00218a012 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine