Compound Detail
CHEMBL3622875
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 | CHEMBL3622875 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBAQXRPFHQUQMA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
4.11
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.57 | 6.57 | 270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 270.0 | nM | 6.57 | Inhibition of recombinant N-terminal 6His-tagged LIMK1 (unknown origin) expresse... | 26356364 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26356364 | 10.1021/acs.jmedchem.5b01242 | LIM domain kinase 1 | 2 |
Data from ChEMBL 36 via Core Engine