Compound Detail
CHEMBL1995927
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Basic Information
| ChEMBL ID | CHEMBL1995927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDIIVNYWTTWCFA-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
280.8
MW (Da)
3.16
ALogP
5
HBA
2
HBD
59.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.3
IC50 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 CHEMBL2886 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Mitogen-activated protein kinase kinase kinase kinase 2 CHEMBL5330 | Ki | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphoglycerate kinase 1 | IC50 | = | 9.0 | nM | 8.05 | Inhibition of PGK1 (unknown origin) pre-incubated with enzyme before 3-phosphogl... | - |
| Glycogen synthase kinase-3 beta | Ki | = | 501.19 | nM | 6.3 | PUBCHEM_BIOASSAY: Navigating the Kinome. (Class of assay: other) Panel member na... | - |
| Mitogen-activated protein kinase kinase kinase kinase 2 | 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