Compound Detail
CHEMBL467203
BETULINAN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL467203 |
| Name | BETULINAN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WEOWAYMMZVELOQ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
320.3
MW (Da)
3.25
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.23 | 5.23 | 5910.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
| SF-268 CHEMBL613977 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 4.36 | 4.36 | 44000.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 4.23 | 4.23 | 58400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 5910.0 | nM | 5.23 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 36126897 |
| MCF7 | IC50 | = | 8700.0 | nM | 5.06 | Cytotoxicity against human MCF7 cells after 48 hrs by MTT assay | 14695798 |
| SF-268 | IC50 | = | 28000.0 | nM | 4.55 | Cytotoxicity against human SF268 cells after 48 hrs by MTT assay | 14695798 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of human PDE4B2 | 23301853 |
| NCI-H460 | IC50 | = | 58400.0 | nM | 4.23 | Cytotoxicity against human NCI-H460 cells after 48 hrs by MTT assay | 14695798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8946751 | 10.1021/np960253z | Liver microsomes | 1 |
| 14987072 | 10.1021/np030372w | Unchecked | 1 |
| 14695798 | 10.1021/np030266u | NCI-H460 | 1 |
| 14695798 | 10.1021/np030266u | MCF7 | 1 |
| 14695798 | 10.1021/np030266u | SF-268 | 1 |
| 23301853 | 10.1021/np300749w | SF-268 | 1 |
| 23301853 | 10.1021/np300749w | NON-PROTEIN TARGET | 1 |
| 23301853 | 10.1021/np300749w | MCF7 | 1 |
| 23301853 | 10.1021/np300749w | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 36126897 | 10.1016/j.bmcl.2022.128992 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine