Compound Detail
CHEMBL1824155
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)[C@@H](C)O)CSC(=O)[C@H](CSC)NC1=O
Basic Information
| ChEMBL ID | CHEMBL1824155 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JXIHCMUYKPKEKZ-VCYAVGGQSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
903.1
MW (Da)
-2.03
ALogP
14
HBA
11
HBD
307.5
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.04 | 4.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-II activation aft... | 20669927 |
| Unchecked | IC50 | = | 21.0 | nM | 7.68 | Inhibition of Staphylococcus aureus Quorum sensing system AgrC-I activation afte... | 20669927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20669927 | 10.1021/jm901742e | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine