Compound Detail
CHEMBL1836360
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Basic Information
| ChEMBL ID | CHEMBL1836360 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWUJODNOEHBXOX-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.4
MW (Da)
4.09
ALogP
4
HBA
1
HBD
51.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LIM domain kinase 1 CHEMBL3836 | IC50 | 6.52 | 6.52 | 300.0 | 3 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 114.0 | mL.min-1.g-1 | Homo sapiens |
| CL | 839.0 | mL.min-1.g-1 | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LIM domain kinase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo ass... | 21852129 |
| LIM domain kinase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
| LIM domain kinase 1 | IC50 | = | 300.0 | nM | 6.52 | Inhibition of LIMK1 (unknown origin) assessed as remaining ATP level using cofil... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C1MD00138H | No relevant target | 3 |
| 21852129 | 10.1016/j.bmcl.2011.07.050 | LIM domain kinase 1 | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
| - | 10.1039/C1MD00138H | Liver microsome | 1 |
| - | 10.1039/C1MD00138H | Liver | 1 |
| - | 10.1039/C1MD00138H | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine