Compound Detail
CHEMBL1195245
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 | CHEMBL1195245 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIBWPUGZCXNNPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
313.3
MW (Da)
2.00
ALogP
5
HBA
3
HBD
114.5
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hepatocyte growth factor activator CHEMBL3351190 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Acrosin CHEMBL2738 | IC50 | 5.62 | 5.62 | 2410.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hepatocyte growth factor activator | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of recombinant N-terminal His-tagged HGFA (unknown origin) expressed ... | 25882520 |
| Acrosin | IC50 | = | 2410.0 | nM | 5.62 | Inhibition of acrosin in human liquefied human semen using BAPNA incubated at 37... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882520 | 10.1016/j.bmc.2015.03.072 | Hepatocyte growth factor activator | 1 |
| - | 10.1039/C4MD00160E | Acrosin | 1 |
Data from ChEMBL 36 via Core Engine