Compound Detail
CHEMBL350475
OSTHENOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL350475 |
| Name | OSTHENOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RAKJVIPCCGXHHS-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
3.01
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.13
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A CHEMBL1951 | Ki | 6.58 | 6.58 | 260.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 6.13 | 6.13 | 740.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 4.6 | 4.6 | 25300.0 | 1 |
| Prostaglandin G/H synthase 1 CHEMBL221 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] A | Ki | = | 260.0 | nM | 6.58 | Competitive inhibition of human recombinant MAO-A expressed in baculovirus infec... | 30686752 |
| Amine oxidase [flavin-containing] A | IC50 | = | 740.0 | nM | 6.13 | Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI inse... | 30686752 |
| NON-PROTEIN TARGET | IC50 | = | 2600.0 | nM | 5.58 | Antiinflammatory activity in human neutrophil assessed as inhibition of FMLP/CB-... | 24798144 |
| Acetylcholinesterase | IC50 | = | 25300.0 | nM | 4.6 | Inhibition of electric eel AChE using acetylthiocholine iodide as substrate prei... | 30686752 |
| Prostaglandin G/H synthase 1 | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of COX1 | 16038536 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11575945 | 10.1021/np010122k | NON-PROTEIN TARGET | 7 |
| 16441065 | 10.1021/np058080d | Unchecked | 6 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] A | 5 |
| - | 10.1039/C4MD00196F | Unchecked | 4 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 2 |
| 24798144 | 10.1021/np500088u | NON-PROTEIN TARGET | 2 |
| - | 10.1039/C4MD00196F | ATP-dependent translocase ABCB1 | 2 |
| - | 10.1039/C4MD00196F | Quinolone resistance protein NorA | 2 |
| - | 10.1039/C4MD00196F | Fluoroquinolone resistance protein | 2 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Amine oxidase [flavin-containing] B | 2 |
| 10636244 | 10.1016/s0960-894x(99)00578-8 | Mus musculus | 1 |
| 16038536 | 10.1021/np049655u | Prostaglandin G/H synthase 1 | 1 |
| 16441065 | 10.1021/np058080d | Raji | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Unchecked | 1 |
| 30686752 | 10.1016/j.bmcl.2019.01.016 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine