Compound Detail
CHEMBL5286183
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Basic Information
| ChEMBL ID | CHEMBL5286183 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BENIBYVETVNODM-GHTZIAJQSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
5.79
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholinesterase CHEMBL1914 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| Amyloid-beta precursor protein CHEMBL2487 | IC50 | 6.08 | 6.08 | 840.0 | 2 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
| SH-SY5Y CHEMBL614910 | IC50 | 5.14 | 5.14 | 7220.0 | 1 |
| Vero 76 CHEMBL4296509 | IC50 | 4.91 | 4.91 | 12400.0 | 1 |
| Microtubule-associated protein tau CHEMBL1293224 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholinesterase | IC50 | = | 460.0 | nM | 6.34 | Inhibition of BuChE (unknown origin) | 29763806 |
| Amyloid-beta precursor protein | IC50 | = | 840.0 | nM | 6.08 | Inhibition of self-induced amyloid beta (unknown origin) aggregation | 29763806 |
| Amyloid-beta precursor protein | IC50 | = | 840.0 | nM | 6.08 | Inhibition of amyloid beta 40 peptide (unknown origin) aggregation incubated for... | 36753881 |
| Acetylcholinesterase | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of AChE (unknown origin) | 29763806 |
| SH-SY5Y | IC50 | = | 7220.0 | nM | 5.14 | Cytotoxicity against human SH-SY5Y cells incubated for 24 hrs by MTT assay | 36753881 |
| Vero 76 | IC50 | = | 12400.0 | nM | 4.91 | Cytotoxicity against green monkey Vero 76 cells incubated for 48 to 96 hrs by cr... | 36753881 |
| Microtubule-associated protein tau | IC50 | = | 46000.0 | nM | 4.34 | Inhibition of tau (unknown origin) aggregation expressed in Escherichia coli BL2... | 36753881 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29763806 | 10.1016/j.ejmech.2018.05.004 | Acetylcholinesterase | 1 |
| 29763806 | 10.1016/j.ejmech.2018.05.004 | Cholinesterase | 1 |
| 29763806 | 10.1016/j.ejmech.2018.05.004 | Amyloid-beta precursor protein | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Microtubule-associated protein tau | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Amyloid-beta precursor protein | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | PHD finger protein 6 | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Vero 76 | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | SH-SY5Y | 1 |
| 36753881 | 10.1016/j.ejmech.2023.115169 | Cerebellar granule neurone | 1 |
Data from ChEMBL 36 via Core Engine