Compound Detail
CHEMBL211002
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Basic Information
| ChEMBL ID | CHEMBL211002 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LTNWICBPQWPXDK-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
192.2
MW (Da)
1.58
ALogP
3
HBA
2
HBD
69.1
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta CHEMBL1991 | IC50 | 4.9 | 4.9 | 12600.0 | 1 |
| LIM domain kinase 1 CHEMBL3836 | IC50 | 4.48 | 4.48 | 33000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inhibitor of nuclear factor kappa-B kinase subunit beta | IC50 | = | 12600.0 | nM | 4.9 | Inhibition of IKK beta | 16686533 |
| LIM domain kinase 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of LIMK1 using cofilin-2 as substrate after 60 mins by Kinase-Glo ass... | 21852129 |
| LIM domain kinase 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of LIMK1 (unknown origin) using cofilin-2 as substrate after 60 mins ... | - |
| LIM domain kinase 1 | IC50 | = | 33000.0 | nM | 4.48 | Inhibition of LIMK1 (unknown origin) assessed as remaining ATP level using cofil... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16686533 | 10.1021/jm0510979 | Inhibitor of nuclear factor kappa-B kinase subunit beta | 1 |
| 21852129 | 10.1016/j.bmcl.2011.07.050 | LIM domain kinase 1 | 1 |
| - | 10.1039/C1MD00137J | LIM domain kinase 1 | 1 |
| - | 10.1039/C1MD00138H | LIM domain kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine