Compound Detail
CHEMBL1780024
PHELLIBAUMIN A Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1780024 |
| Name | PHELLIBAUMIN A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RXORBHSDVJWVOW-HNQUOIGGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
352.3
MW (Da)
3.53
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5'-nucleotidase CHEMBL5957 | IC50 | 4.77 | 4.77 | 17120.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.28 | 4.28 | 52960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5'-nucleotidase | IC50 | = | 17120.0 | nM | 4.77 | Inhibition of human recombinant CD73 | 36599229 |
| Unchecked | IC50 | = | 52960.0 | nM | 4.28 | Inhibition of LPS-induced NF-kappaB-dependent reporter gene transcription in and... | 21531558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21531558 | 10.1016/j.bmcl.2011.04.025 | Unchecked | 1 |
| 36599229 | 10.1016/j.ejmech.2022.115052 | 5'-nucleotidase | 1 |
Data from ChEMBL 36 via Core Engine