Compound Detail
CHEMBL2235239
Moslosooflavone Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2235239 |
| Name | Moslosooflavone |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IHLSBQVBFDTNTC-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.18
ALogP
5
HBA
1
HBD
68.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 5.61 | 5.61 | 2460.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 5.57 | 5.57 | 2720.0 | 1 |
| Beta-secretase 1 CHEMBL4822 | IC50 | 5.54 | 5.54 | 2910.0 | 1 |
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 4.99 | 4.99 | 10200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 2460.0 | nM | 5.61 | Inhibition of AChE (unknown origin) | 33984802 |
| HepG2 | IC50 | = | 2720.0 | nM | 5.57 | Antiproliferative activity against human HepG2 cells after 48 hrs by MTT assay | - |
| Beta-secretase 1 | IC50 | = | 2910.0 | nM | 5.54 | Inhibition of BACE1 (unknown origin) | 33984802 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 10200.0 | nM | 4.99 | Inhibition of PLK1 (unknown origin) in the presence of ATP by ADP-Glo-kinase ass... | 35878418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9570-z | Avian myoblastosis virus polyprotein II | 1 |
| 12517100 | 10.1021/jf025627a | Spodoptera litura | 1 |
| - | 10.1039/C5MD00163C | SW480 | 1 |
| - | 10.1039/C5MD00163C | HT-29 | 1 |
| - | 10.1039/C5MD00163C | NON-PROTEIN TARGET | 1 |
| - | 10.1039/C5MD00163C | HepG2 | 1 |
| - | 10.1039/C5MD00163C | ADMET | 1 |
| 32991171 | 10.1021/acs.jnatprod.0c00756 | HT-22 | 1 |
| 35878418 | 10.1021/acs.jmedchem.2c00614 | Serine/threonine-protein kinase PLK1 | 1 |
| 35878418 | 10.1021/acs.jmedchem.2c00614 | Serine/threonine-protein kinase PLK2 | 1 |
| 35878418 | 10.1021/acs.jmedchem.2c00614 | Serine/threonine-protein kinase PLK3 | 1 |
| 33984802 | 10.1016/j.ejmech.2021.113492 | Acetylcholinesterase | 1 |
| 33984802 | 10.1016/j.ejmech.2021.113492 | Beta-secretase 1 | 1 |
Data from ChEMBL 36 via Core Engine