Compound Detail
CHEMBL358105
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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)CNC)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL358105 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QCOIEFVUOZHBGW-DGCVNZKZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
954.1
MW (Da)
-1.27
ALogP
12
HBA
13
HBD
355.1
PSA (Ų)
0.03
QED
3
Ro5 Violations
27
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor CHEMBL2094256 | Kd | 7.25 | 7.25 | 56.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor | Kd | = | 56.23 | nM | 7.25 | pA2 value was determined in the range of competitive inhibition in the in vitro ... | 3346871 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3346871 | 10.1021/jm00398a005 | Angiotensin II receptor | 2 |
| 3346871 | 10.1021/jm00398a005 | Rattus norvegicus | 2 |
Data from ChEMBL 36 via Core Engine