Compound Detail
CHEMBL1215433
MORELLOFLAVONE Enter ChEMBL ID:
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O=C1c2c(O)cc(O)cc2O[C@H](c2ccc(O)cc2)[C@H]1c1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12
Basic Information
| ChEMBL ID | CHEMBL1215433 |
| Name | MORELLOFLAVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GFWPWSNIXRDQJC-LMSSTIIKSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
556.5
MW (Da)
4.50
ALogP
11
HBA
7
HBD
198.1
PSA (Ų)
0.15
QED
3
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.89
EC50 1 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| PBMC CHEMBL613107 | IC50 | 4.09 | 4.09 | 82000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1300.0 | nM | 5.89 | Inhibition of proteasome | 21650152 |
| Human immunodeficiency virus 1 | EC50 | = | 6900.0 | nM | 5.16 | Antiviral activity against HIV1 LAV-1 in PHA-stimulated human PBMC after 6 days | 9322359 |
| PBMC | IC50 | = | 82000.0 | nM | 4.09 | Cytotoxicity against uninfected PHA-stimulated human PBMC assessed as thymidine ... | 9322359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10654415 | 10.1021/np990065j | Raji | 4 |
| 10654415 | 10.1021/np990065j | NON-PROTEIN TARGET | 3 |
| 20681570 | 10.1021/np100156w | Unchecked | 3 |
| 9322359 | 10.1021/np9700275 | Human immunodeficiency virus type 1 reverse transcriptase | 2 |
| 9322359 | 10.1021/np9700275 | Human immunodeficiency virus 1 | 1 |
| 9322359 | 10.1021/np9700275 | PBMC | 1 |
| 9322359 | 10.1021/np9700275 | Unchecked | 1 |
| 16562837 | 10.1021/np050406v | MRC5 | 1 |
| 21650152 | 10.1021/np200391c | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine