Compound Detail
CHEMBL3245411
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Basic Information
| ChEMBL ID | CHEMBL3245411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCLQWSHAVPTCAD-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
4.05
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.24
QED
0
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
Ki 1 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acrosin CHEMBL3243910 | Ki | 5.92 | 5.92 | 1200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acrosin | Ki | = | 1200.0 | nM | 5.92 | Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as ... | 722718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26727270 | 10.1021/acs.jmedchem.5b01369 | NON-PROTEIN TARGET | 2 |
| 722718 | 10.1021/jm00209a008 | Acrosin | 1 |
Data from ChEMBL 36 via Core Engine