Compound Detail
CHEMBL2368325
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C[C@@H]1CC[C@H]2[C@@H](C)CCO[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
Basic Information
| ChEMBL ID | CHEMBL2368325 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGTNBZCODYOPJL-ABDZMETNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
282.4
MW (Da)
3.26
ALogP
4
HBA
0
HBD
36.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | EC50 | 4.3 | 4.3 | 50200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | EC50 | = | 50200.0 | nM | 4.3 | In vitro anti-HIV activity in human peripheral blood mononuclear (PBM) cells acu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80266-3 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine