Compound Detail
CHEMBL3245412
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Basic Information
| ChEMBL ID | CHEMBL3245412 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWHFRAHOLOQKIY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
634.3
MW (Da)
5.26
ALogP
4
HBA
4
HBD
118.2
PSA (Ų)
0.10
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Acrosin CHEMBL3243910 | Ki | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Acrosin | Ki | = | 260.0 | nM | 6.58 | Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as ... | 722718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 722718 | 10.1021/jm00209a008 | Acrosin | 1 |
Data from ChEMBL 36 via Core Engine