Compound Detail
CHEMBL288273
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O=C1OCC2OC(=O)c3cc(O)c(O)c(O)c3-c3c(O)c(O)c(O)c4c3C(=O)OC(C2OC(=O)c2cc(O)c(O)c(O)c2-c2c1cc(O)c(O)c2O)C1OC(=O)c2c-4c(O)c(O)c(O)c2[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL288273 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDYKDZHZAKSYCO-LSSWMSPRSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
934.6
MW (Da)
1.32
ALogP
26
HBA
16
HBD
455.2
PSA (Ų)
0.06
QED
3
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
EC50 1 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C (PKC) CHEMBL2093867 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C (PKC) | IC50 | = | 8000.0 | nM | 5.1 | Inhibitory activity against protein kinase C (PKC) | - |
| Human immunodeficiency virus 1 | IC50 | = | 15000.0 | nM | 4.82 | Anti-HIV activity in cell culture assay expressed as IC50 values. | - |
| Human immunodeficiency virus 1 | EC50 | = | 16000.0 | nM | 4.8 | Anti-HIV activity in cell culture assay expressed as EC50 values. | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus 1 | 3 |
| - | 10.1016/S0960-894X(00)80422-9 | ADMET | 1 |
| - | 10.1016/S0960-894X(00)80422-9 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C (PKC) | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Protein kinase C, PKC; classical/novel | 1 |
| - | 10.1016/S0960-894X(01)81072-6 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine