Compound Detail
CHEMBL1978271
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CC(C)(C)c1cc(NC(=O)Nc2cccc3ccccc23)n(-c2cccc(C(=O)NCCOCCO)c2)n1
Basic Information
| ChEMBL ID | CHEMBL1978271 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUVNSIJSYBSMJX-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.71
ALogP
6
HBA
4
HBD
117.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Cyclin-dependent kinase 8 CHEMBL5719 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| Mitogen-activated protein kinase 14 CHEMBL260 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL4179 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase N2 | Ki | = | 50.12 | nM | 7.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Cyclin-dependent kinase 8 | Ki | = | 251.19 | nM | 6.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 14 | Ki | = | 316.23 | nM | 6.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 9 | Ki | = | 316.23 | nM | 6.5 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Platelet-derived growth factor receptor alpha | Ki | = | 1000.0 | nM | 6.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Proto-oncogene tyrosine-protein kinase receptor Ret | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine