Compound Detail
CHEMBL2375481
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 | CHEMBL2375481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEBHKCHGOXBQFM-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.12
ALogP
7
HBA
0
HBD
65.5
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.12
Ki 1 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.35 | 6.35 | 450.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.12 | 6.12 | 764.0 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.75 | 5.75 | 1780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 450.0 | nM | 6.35 | Inhibition of urease (unknown origin) assessed as ammonia synthesis after 30 min... | 23603045 |
| Unchecked | IC50 | = | 764.0 | nM | 6.12 | Inhibition of urease (unknown origin) assessed as ammonia synthesis after 30 min... | 23603045 |
| Acetylcholinesterase | IC50 | = | 1780.0 | nM | 5.75 | Inhibition of acetylcholine esterase (unknown origin) using acetylthiocholine as... | 23603045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23603045 | 10.1016/j.ejmech.2013.01.060 | Unchecked | 2 |
| 23603045 | 10.1016/j.ejmech.2013.01.060 | Acetylcholinesterase | 1 |
Data from ChEMBL 36 via Core Engine