Compound Detail
CHEMBL259594
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CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)P(=O)(O)O
Basic Information
| ChEMBL ID | CHEMBL259594 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOHHTYUAWYIPAM-ZQEFQCJFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
1.36
ALogP
6
HBA
7
HBD
182.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.63 | 6.63 | 234.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 234.3 | nM | 6.63 | Inhibition of ACE | 18096385 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18096385 | 10.1016/j.bmcl.2007.11.130 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine