Compound Detail
CHEMBL508648
BYAKANGELICIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL508648 |
| Name | BYAKANGELICIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PKRPFNXROFUNDE-LLVKDONJSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.3
MW (Da)
2.06
ALogP
7
HBA
2
HBD
102.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.21
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-secretase 1 CHEMBL4822 | Ki | 5.21 | 4.735 | 6200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-secretase 1 | Ki | = | 6200.0 | nM | 5.21 | Inhibition of recombinant human BACE1 assessed as dissociation constant of enzym... | 22222157 |
| Beta-secretase 1 | Ki | = | 55000.0 | nM | 4.26 | Inhibition of recombinant human BACE1 assessed as dissociation constant of enzym... | 22222157 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 4 |
| 31464439 | 10.1021/acs.jnatprod.9b00547 | HepG2 | 3 |
| 9157191 | 10.1021/np960407a | Mus musculus | 2 |
Data from ChEMBL 36 via Core Engine