Compound Detail
CHEMBL275097
TETRAHYDROBERBERINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL275097 |
| Name | TETRAHYDROBERBERINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZTUIEROBZXUFA-UHFFFAOYSA-N |
5
Targets
5
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
3.09
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
EC50 2 meas. best 5.46
IC50 2 meas. best 8.08
Ki 1 meas. best 5.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tissue factor CHEMBL4081 | IC50 | 8.08 | 8.08 | 8.3 | 1 |
| Alpha-1A adrenergic receptor CHEMBL319 | Ki | 5.95 | 5.95 | 1122.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.46 | 5.46 | 3430.0 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 4.55 | 4.55 | 27940.0 | 1 |
| DNA CHEMBL2364041 | EC50 | 4.03 | 4.03 | 93000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tissue factor | IC50 | = | 8.35 | nM | 8.08 | Inhibition of tissue factor procoagulant activity in LPS-stimulated human THP1 c... | 23199480 |
| Alpha-1A adrenergic receptor | Ki | = | 1122.02 | nM | 5.95 | Displacement of [125I]-BE2254 from Wistar rat alpha1A adrenoceptor after 20 mins | 27709945 |
| Unchecked | EC50 | = | 3430.0 | nM | 5.46 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| SK-MEL-2 | IC50 | = | 27940.0 | nM | 4.55 | Cytotoxicity against human SK-MEL-2 cells by SRB assay | 20594848 |
| DNA | EC50 | = | 93000.0 | nM | 4.03 | Antioxidant activity assessed as protection against ferrous ions and dioxygen-in... | 30196978 |
Literature References
Data from ChEMBL 36 via Core Engine