Compound Detail
CHEMBL1980802
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Basic Information
| ChEMBL ID | CHEMBL1980802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RIDCOBPCGROHQY-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
391.8
MW (Da)
1.14
ALogP
8
HBA
4
HBD
149.6
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Serine/threonine-protein kinase 3 CHEMBL4708 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 CHEMBL4045 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Macrophage colony-stimulating factor 1 receptor | Ki | = | 158.49 | nM | 6.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Ribosomal protein S6 kinase alpha-3 | Ki | = | 501.19 | nM | 6.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase 3 | Ki | = | 794.33 | nM | 6.1 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| 5'-AMP-activated protein kinase catalytic subunit alpha-1 | Ki | = | 6309.57 | nM | 5.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 6309.57 | nM | 5.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine