Compound Detail
CHEMBL2000724
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Basic Information
| ChEMBL ID | CHEMBL2000724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWZGZONUMONWKF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
4.18
ALogP
4
HBA
2
HBD
85.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 CHEMBL5600 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MAP/microtubule affinity-regulating kinase 3 | Ki | = | 1.0 | nM | 9.0 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Glycogen synthase kinase-3 alpha | 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