Compound Detail
CHEMBL84095
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Basic Information
| ChEMBL ID | CHEMBL84095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFFSPAZVIVZPHU-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
162.1
MW (Da)
2.13
ALogP
2
HBA
1
HBD
50.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 3.0
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 3.0 | 3.0 | 1000000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 1000000.0 | nM | 3.0 | Binding affinity to His6-tagged Mycobacterium tuberculosis pantothenate syntheta... | 32539387 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15115392 | 10.1021/jm0305117 | NS3 | 1 |
| 21507633 | 10.1016/j.bmcl.2011.03.030 | Serine/threonine-protein kinase pim-1 | 1 |
| 21235241 | 10.1021/jm101121s | Pantothenate synthetase | 1 |
| 23244564 | 10.1021/jm301448p | Induced myeloid leukemia cell differentiation protein Mcl-1 | 1 |
| 32539387 | 10.1021/acs.jmedchem.0c00242 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine