Compound Detail
CHEMBL1984847
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Basic Information
| ChEMBL ID | CHEMBL1984847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IXLOPQOCFOQEQN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.2
MW (Da)
3.74
ALogP
5
HBA
1
HBD
77.0
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | Ki | 7.7 | 7.7 | 19.9 | 1 |
| Serine/threonine-protein kinase TAO1 CHEMBL5261 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proto-oncogene tyrosine-protein kinase receptor Ret | Ki | = | 19.95 | nM | 7.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Serine/threonine-protein kinase TAO1 | Ki | = | 25.12 | nM | 7.6 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| cAMP-dependent protein kinase catalytic subunit PRKX | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine