Compound Detail
CHEMBL1229732
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Basic Information
| ChEMBL ID | CHEMBL1229732 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHTDODSYDCPOCW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
161.2
MW (Da)
1.87
ALogP
1
HBA
2
HBD
53.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 3.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Autotaxin CHEMBL3691 | IC50 | 3.1 | 3.1 | 794328.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Autotaxin | IC50 | = | 794328.23 | nM | 3.1 | Inhibition of full length human C-terminal 6-His-tagged ATXbeta using FS-3 as su... | 28564542 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31282680 | 10.1021/acs.jmedchem.9b00809 | Unchecked | 2 |
| 21126022 | 10.1021/jm1010572 | Pteridine reductase 1 | 1 |
| 22425563 | 10.1016/j.bmcl.2012.02.057 | Acetylcholinesterase | 1 |
| 28495381 | 10.1016/j.bmc.2017.04.037 | Casein kinase II subunit alpha | 1 |
| 28564542 | 10.1021/acs.jmedchem.6b01224 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine