Compound Detail
CHEMBL2001998
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CNC(=O)N1CCN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)CC1
Basic Information
| ChEMBL ID | CHEMBL2001998 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YGJKHDBRTOPTNK-UHFFFAOYSA-N |
11
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.5
MW (Da)
2.64
ALogP
6
HBA
2
HBD
110.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | Ki | 7.0 | 7.0 | 100.0 | 1 |
| Serine/threonine-protein kinase MARK2 CHEMBL3831 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Ki | 6.4 | 6.4 | 398.1 | 1 |
| Tyrosine-protein kinase ITK/TSK CHEMBL2959 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Serine/threonine-protein kinase Chk2 CHEMBL2527 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Tyrosine-protein kinase Lck CHEMBL258 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Vascular endothelial growth factor receptor 2 CHEMBL279 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Fibroblast growth factor receptor 1 CHEMBL3650 | Ki | 5.5 | 5.5 | 3162.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine