Compound Detail
CHEMBL3621953
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 | CHEMBL3621953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHJNAFIJPFGZRI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
-0.49
ALogP
3
HBA
3
HBD
100.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-crystallin B chain CHEMBL3621022 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-crystallin B chain | IC50 | = | 20000.0 | nM | 4.7 | Binding affinity to CRYAB (unknown origin) assessed as reduction in CRYAB-VEGFA ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C4MD00328D | Alpha-crystallin B chain | 1 |
Data from ChEMBL 36 via Core Engine