Compound Detail
CHEMBL350715
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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](CCCN=C(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](CCO)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL350715 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | YZBWOVIUFGWTST-MSZMFPQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
956.1
MW (Da)
-2.76
ALogP
13
HBA
13
HBD
377.8
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 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 CHEMBL2094250 | Kd | 7.8 | 7.8 | 15.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Angiotensin II receptor (AT-1) type-1 | Kd | = | 15.85 | nM | 7.8 | Antagonistic activity against Angiotensin II receptor type 1 in rat uterus | 10782679 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10782679 | 10.1016/s0960-894x(00)00079-2 | Angiotensin II receptor (AT-1) type-1 | 1 |
Data from ChEMBL 36 via Core Engine