Compound Detail
CHEMBL11848
DIHYDROBERBERINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL11848 |
| Name | DIHYDROBERBERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZAGOOYMTPGPGF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
12
Publications
0
Known Names
Molecular Properties
337.4
MW (Da)
3.30
ALogP
5
HBA
0
HBD
40.2
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human betaherpesvirus 5 CHEMBL371 | IC50 | 4.03 | 4.03 | 93000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 2.65 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human betaherpesvirus 5 | IC50 | = | 93000.0 | nM | 4.03 | Antiviral activity against HCMV in MRC5 cells by plaque reduction assay | 17239594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20663675 | 10.1016/j.bmc.2010.06.085 | Mus musculus | 10 |
| 3286870 | 10.1021/jm00401a006 | Mus musculus | 3 |
| 3286870 | 10.1021/jm00401a006 | Plasmodium falciparum | 2 |
| 20663675 | 10.1016/j.bmc.2010.06.085 | No relevant target | 2 |
| 22425568 | 10.1016/j.bmcl.2012.02.038 | ADMET | 2 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | MRC5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Human betaherpesvirus 5 | 1 |
| 17239594 | 10.1016/j.bmcl.2006.12.085 | Unchecked | 1 |
| 1710653 | 10.1021/np50073a012 | Human immunodeficiency virus type 1 reverse transcriptase | 1 |
| 20663675 | 10.1016/j.bmc.2010.06.085 | Rattus norvegicus | 1 |
| 22425568 | 10.1016/j.bmcl.2012.02.038 | Toxoplasma gondii | 1 |
| - | 10.1007/s00044-012-0221-9 | Bile salt-activated lipase | 1 |
Data from ChEMBL 36 via Core Engine