Compound Detail
CHEMBL2047525
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 | CHEMBL2047525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTMBGYVFBGIVHT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
6.64
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.15
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acetylcholinesterase CHEMBL220 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 7.23 | 7.23 | 59.4 | 1 |
| Fatty-acid amide hydrolase 1 CHEMBL3229 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acetylcholinesterase | IC50 | = | 1.2 | nM | 8.92 | Inhibition of recombinant human serum AChE using acetylthiocholine iodide as sub... | 35858523 |
| Cholinesterase | IC50 | = | 59.4 | nM | 7.23 | Inhibition of recombinant human serum BChE using acetylthiocholine iodide as sub... | 35858523 |
| Fatty-acid amide hydrolase 1 | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of FAAH in rat brain membranes assessed as hydrolysis of [14C]-ananda... | 24900454 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900454 | 10.1021/ml200313p | Fatty-acid amide hydrolase 1 | 2 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterases; ACHE & BCHE | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Acetylcholinesterase | 1 |
| 35858523 | 10.1016/j.ejmech.2022.114606 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine