Compound Detail
CHEMBL2006581
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2006581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFRGIDBALWLGDZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
384.9
MW (Da)
1.29
ALogP
6
HBA
3
HBD
137.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 CHEMBL4179 | Ki | 8.2 | 8.2 | 6.3 | 1 |
| Serine/threonine-protein kinase D2 CHEMBL4900 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | Ki | 5.8 | 5.8 | 1584.9 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
| Casein kinase I isoform delta CHEMBL2828 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mitogen-activated protein kinase 9 | Ki | = | 6.31 | nM | 8.2 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase D2 | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase 1 | Ki | = | 1584.89 | nM | 5.8 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Macrophage colony-stimulating factor 1 receptor | Ki | = | 2511.89 | nM | 5.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Casein kinase I isoform delta | 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