Compound Detail
CHEMBL485247
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Basic Information
| ChEMBL ID | CHEMBL485247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDEDRFPEUVNRFK-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
328.3
MW (Da)
3.19
ALogP
6
HBA
1
HBD
78.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.36
EC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 7.58 | 7.58 | 26.4 | 1 |
| Acetylcholinesterase CHEMBL3199 | IC50 | 7.36 | 7.36 | 44.2 | 1 |
| Polyadenylate-binding protein 1 CHEMBL1293286 | IC50 | 4.47 | 4.47 | 33700.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.29 | 4.29 | 51400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 26.4 | nM | 7.58 | Antioxidant activity assessed as DPPH radical scavenging activity by spectrophot... | 29089261 |
| Acetylcholinesterase | IC50 | = | 44.2 | nM | 7.36 | Inhibition of rat brain AChE using acetylthiocholine iodide as substrate by spec... | 29089261 |
| Polyadenylate-binding protein 1 | IC50 | = | 33700.0 | nM | 4.47 | PUBCHEM_BIOASSAY: Dose-response confirmation of microRNA-mediated mRNA deacetyla... | - |
| No relevant target | IC50 | = | 51400.0 | nM | 4.29 | Anti-glycosylation activity using BSA assessed as inhibition of AGE formation me... | 29089261 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29089261 | 10.1016/j.bmc.2017.09.012 | No relevant target | 2 |
| 1800636 | 10.1021/np50077a018 | Unchecked | 1 |
| 1812215 | 10.1021/np50078a027 | A549 | 1 |
| 1812215 | 10.1021/np50078a027 | MCF7 | 1 |
| 1812215 | 10.1021/np50078a027 | HT-29 | 1 |
| 1812215 | 10.1021/np50078a027 | SK-MEL | 1 |
| 1812215 | 10.1021/np50078a027 | Malme-3M | 1 |
| 1479375 | 10.1021/np50089a001 | Tyrosine-protein kinase Lck | 1 |
| 469554 | 10.1021/np50001a002 | L1210 | 1 |
| 27061673 | 10.1016/j.bmc.2016.03.064 | Glutaminyl-peptide cyclotransferase | 1 |
| 29089261 | 10.1016/j.bmc.2017.09.012 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine