Compound Detail
CHEMBL2006836
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CC1=NN(c2ccc(C(=O)O)cc2)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O
Basic Information
| ChEMBL ID | CHEMBL2006836 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJQQRNGGHIVKKV-UHFFFAOYSA-N |
13
Targets
13
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
451.4
MW (Da)
3.88
ALogP
7
HBA
2
HBD
131.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 13 meas. best 6.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Casein kinase II subunit alpha CHEMBL3629 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Protein-tyrosine kinase 2-beta CHEMBL5469 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Serine/threonine-protein kinase pim-3 CHEMBL5407 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| LIM domain kinase 1 CHEMBL3836 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Dual specificity tyrosine-phosphorylation-regulated kinase 1A CHEMBL2292 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.3 | 5.3 | 5011.9 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine