Compound Detail
CHEMBL5085698
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Basic Information
| ChEMBL ID | CHEMBL5085698 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTIGOWUZQQHANO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
379.5
MW (Da)
2.43
ALogP
7
HBA
3
HBD
91.0
PSA (Ų)
0.55
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 CHEMBL5784 | IC50 | 6.75 | 6.75 | 176.0 | 1 |
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Activin receptor type-1 CHEMBL5903 | IC50 | 6.27 | 6.27 | 537.0 | 1 |
| Bone morphogenetic protein receptor type-1B CHEMBL5476 | IC50 | 5.04 | 5.04 | 9028.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NUAK family SNF1-like kinase 1 | IC50 | = | 176.0 | nM | 6.75 | Inhibition of recombinant human ARK5 (2 to end residues) using KKKVSRSGLYRSPSMPE... | 34333981 |
| Serine/threonine-protein kinase SIK2 | IC50 | = | 185.0 | nM | 6.73 | Inhibition of recombinant human SIK2 (1 to 276 residues) using KKKVSRSGLYRSPSMPE... | 34333981 |
| Activin receptor type-1 | IC50 | = | 537.0 | nM | 6.27 | Inhibition of human ALK2 (147 to end residues) using casein as substrate incubat... | 34333981 |
| Bone morphogenetic protein receptor type-1B | IC50 | = | 9028.0 | nM | 5.04 | Inhibition of recombinant human BMPR1B (148 to end residues) using casein as sub... | 34333981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase 17A | 2 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Aurora kinase B | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 3 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 4 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase TBK1 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | NUAK family SNF1-like kinase 1 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase SIK2 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Activin receptor type-1 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Bone morphogenetic protein receptor type-1B | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | No relevant target | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | ADMET | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Tyrosine-protein kinase JAK2 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase 17B | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | BMP-2-inducible protein kinase | 1 |
Data from ChEMBL 36 via Core Engine