Compound Detail
CHEMBL190546
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Basic Information
| ChEMBL ID | CHEMBL190546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GMSWOSYARKHCHX-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.90
ALogP
2
HBA
4
HBD
80.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Zinc finger protein GLI1 CHEMBL5461 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
| Zinc finger protein GLI2 CHEMBL5119 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| PANC-1 CHEMBL614139 | IC50 | 4.17 | 4.17 | 68000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 23.0 | nM | 7.64 | Inhibition of N-terminal His10-StrepII tagged human ROCK2 catalytic domain (1 to... | 36764122 |
| Zinc finger protein GLI1 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Gli1-mediated transcription expressed in human PANC1 cells | 19309080 |
| Zinc finger protein GLI2 | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of Gli2-mediated transcription expressed in human PANC1 cells | 19309080 |
| PANC-1 | IC50 | = | 68000.0 | nM | 4.17 | Antiproliferative activity against human PANC-1 cells assessed as inhibition of ... | 36170798 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Eukaryotic elongation factor 2 kinase | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Protein kinase C (PKC) | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Proto-oncogene tyrosine-protein kinase Src | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | cAMP-dependent protein kinase (PKA) | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Epidermal growth factor receptor | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Vascular endothelial growth factor receptor 1 | 3 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | HeLa | 1 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | Jurkat | 1 |
| 15911254 | 10.1016/j.bmcl.2005.03.103 | KB 3-1 | 1 |
| 19309080 | 10.1021/jm801420y | Zinc finger protein GLI1 | 1 |
| 19309080 | 10.1021/jm801420y | Zinc finger protein GLI2 | 1 |
| 36170798 | 10.1016/j.ejmech.2022.114748 | PANC-1 | 1 |
| 36764122 | 10.1016/j.ejmech.2023.115181 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine