Compound Detail
CHEMBL2228155
DINOTEFURAN Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2228155 |
| Name | DINOTEFURAN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YKBZOVFACRVRJN-UHFFFAOYSA-N |
2
Targets
6
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
-0.62
ALogP
4
HBA
2
HBD
88.8
PSA (Ų)
0.28
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.49
IC50 2 meas. best 5.3
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.49 | 7.36 | 3.2 | 3 |
| Acetylcholine receptor subunit beta-like 2 CHEMBL2366470 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae 4106A (green peach ... | 23112103 |
| Unchecked | Ki | = | 76.0 | nM | 7.12 | Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela... | 19253973 |
| Unchecked | Ki | = | 336.0 | nM | 6.47 | Displacement of [3H]IMD from nAChR in Myzus persicae 4106A (green peach aphid) m... | 23112103 |
| Acetylcholine receptor subunit beta-like 2 | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela... | 10936213 |
| Unchecked | IC50 | = | 5000.0 | nM | 5.3 | Displacement of [3H]IMI from nicotinic acetylcholine receptor in Myzus persicae ... | 10936213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21714058 | 10.1002/ps.2207 | Aphis gossypii | 10 |
| - | 10.1584/jpestics.30.122 | Rattus norvegicus | 5 |
| 19742452 | 10.1002/ps.1835 | Popillia japonica | 3 |
| - | 10.1584/jpestics.27.374 | Unchecked | 3 |
| 19742452 | 10.1002/ps.1835 | Amphimallon majale | 3 |
| - | 10.1584/jpestics.30.122 | Mus musculus | 3 |
| 20919736 | 10.1021/jf1030778 | Lepidoptera | 3 |
| 23112103 | 10.1002/ps.3413 | Unchecked | 3 |
| 19742452 | 10.1002/ps.1835 | Maladera castanea | 3 |
| 19742452 | 10.1002/ps.1835 | Anomala orientalis | 3 |
| 20919736 | 10.1021/jf1030778 | Diptera | 2 |
| 20919736 | 10.1021/jf1030778 | Nephotettix cincticeps | 2 |
| 20919736 | 10.1021/jf1030778 | No relevant target | 2 |
| - | 10.1584/jpestics.30.122 | No relevant target | 2 |
| 21476569 | 10.1021/jf200485k | Aldehyde oxidase 1 | 2 |
| - | 10.1584/jpestics.30.122 | Oryctolagus cuniculus | 2 |
| - | 10.1584/jpestics.30.122 | Cavia porcellus | 2 |
| 20919736 | 10.1021/jf1030778 | Acetylcholine receptor subunit beta-like 2 | 2 |
| 23112103 | 10.1002/ps.3413 | Myzus persicae | 2 |
| 21476569 | 10.1021/jf200485k | Tyrosinase | 2 |
Data from ChEMBL 36 via Core Engine