Compound Detail
CHEMBL2003405
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Basic Information
| ChEMBL ID | CHEMBL2003405 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTMHUKHTTYWAIC-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
5.69
ALogP
3
HBA
2
HBD
57.8
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit beta CHEMBL4121 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Tyrosine-protein kinase FRK CHEMBL4223 | Ki | 5.7 | 5.7 | 1995.3 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit delta CHEMBL2801 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
| Calcium/calmodulin-dependent protein kinase type II subunit gamma CHEMBL3829 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Calcium/calmodulin-dependent protein kinase type II subunit beta | Ki | = | 1258.93 | nM | 5.9 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Tyrosine-protein kinase FRK | Ki | = | 1995.26 | nM | 5.7 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Calcium/calmodulin-dependent protein kinase type II subunit gamma | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Calcium/calmodulin-dependent protein kinase type II subunit delta | Ki | = | 3981.07 | nM | 5.4 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
Data from ChEMBL 36 via Core Engine