Compound Detail
CHEMBL470264
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Basic Information
| ChEMBL ID | CHEMBL470264 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEOBFNCQTNUCCY-WAYWQWQTSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
6.50
ALogP
2
HBA
2
HBD
57.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Ki 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist CHEMBL3430886 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
| Acetylcholinesterase CHEMBL4078 | IC50 | 5.66 | 5.66 | 2172.0 | 1 |
| Bcl-xL/BAK CHEMBL3137283 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
| Seed linoleate 13S-lipoxygenase-1 CHEMBL4586 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | Ki | = | 1200.0 | nM | 5.92 | Inhibition of His-tagged Mcl-1/5-carboxyfluorescein-Bid (unknown origin) after 1... | 27008174 |
| Acetylcholinesterase | IC50 | = | 2172.0 | nM | 5.66 | Inhibition of electric eel acetylcholinesterase using acetylthiocholine iodide a... | 21641207 |
| Bcl-xL/BAK | Ki | = | 5700.0 | nM | 5.24 | Inhibition of His-tagged Bcl-xL/5-carboxyfluorescein-Bak (unknown origin) after ... | 27008174 |
| Seed linoleate 13S-lipoxygenase-1 | IC50 | = | 6000.0 | nM | 5.22 | Inhibition of soybean lipoxygenase-1 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1021/np50114a025 | Seed linoleate 13S-lipoxygenase-1 | 1 |
| 21641207 | 10.1016/j.bmcl.2011.04.065 | Acetylcholinesterase | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Induced myeloid leukemia cell differentiation protein Mcl-1/BH3-interacting domain death agonist | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | Bcl-xL/BAK | 1 |
| 27008174 | 10.1021/acs.jnatprod.5b00915 | HCT-116 | 1 |
Data from ChEMBL 36 via Core Engine