Compound Detail
CHEMBL230270
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CC(C)(C)NC(=O)c1ccccc1C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CS(=O)(=O)c1ccc(Cl)cc1)NS(C)(=O)=O
Basic Information
| ChEMBL ID | CHEMBL230270 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXCSFZCMVRDPHH-PKTNWEFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
664.2
MW (Da)
2.89
ALogP
7
HBA
4
HBD
158.7
PSA (Ų)
0.22
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 9.47 | 9.47 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 0.34 | nM | 9.47 | Inhibition of HIV protease | 17537628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17537628 | 10.1016/j.bmcl.2007.05.039 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine