Compound Detail
CHEMBL109273
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CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2COC[C@H]21
Basic Information
| ChEMBL ID | CHEMBL109273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FKIFLFSCPVYJLA-WWHGPYDISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
557.7
MW (Da)
2.89
ALogP
7
HBA
3
HBD
109.4
PSA (Ų)
0.45
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of HIV-1 replication in infected MT-4 human T-lymphoid cells. | 8765511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765511 | 10.1021/jm960128k | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine