Compound Detail
CHEMBL479681
O-DEMETHYLMURRAYANINE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL479681 |
| Name | O-DEMETHYLMURRAYANINE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYSFFQUIYNEZKX-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
211.2
MW (Da)
2.84
ALogP
2
HBA
2
HBD
53.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.46 | 5.31 | 3500.0 | 2 |
| KB CHEMBL398 | IC50 | 5.26 | 5.26 | 5490.0 | 1 |
| NCI-H187 CHEMBL2366276 | IC50 | 4.72 | 4.72 | 19220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3500.0 | nM | 5.46 | Antiinflammatory activity in human neutrophil assessed as inhibition of FMLP/CB-... | 24798144 |
| KB | IC50 | = | 5490.0 | nM | 5.26 | Cytotoxicity against human KB cells by resazurin microplate assay | 21302964 |
| NON-PROTEIN TARGET | IC50 | = | 6900.0 | nM | 5.16 | Antiinflammatory activity in human neutrophil assessed as inhibition of FMLP/CB-... | 24798144 |
| NCI-H187 | IC50 | = | 19220.0 | nM | 4.72 | Cytotoxicity against human NCI-H187 by resazurin microplate assay | 21302964 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10650093 | 10.1021/np990285x | Unchecked | 4 |
| 10650093 | 10.1021/np990285x | Raji | 4 |
| 24798144 | 10.1021/np500088u | NON-PROTEIN TARGET | 2 |
| 21302964 | 10.1021/np100654m | NCI-H187 | 1 |
| 21302964 | 10.1021/np100654m | KB | 1 |
| 21302964 | 10.1021/np100654m | Vero | 1 |
Data from ChEMBL 36 via Core Engine