Compound Detail
CHEMBL2070402
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Basic Information
| ChEMBL ID | CHEMBL2070402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHBSKAVAFUPYHK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
-0.28
ALogP
7
HBA
5
HBD
120.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.4 | 8.32 | 4.0 | 2 |
| S-methyl-5'-thioadenosine phosphorylase CHEMBL4941 | Ki | 7.47 | 7.47 | 34.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.0 | nM | 8.4 | Inhibition of Neisseria meningitidis MTAN assessed as reduction in methylthioade... | 22854195 |
| Unchecked | Ki | = | 5.8 | nM | 8.24 | Inhibition of Escherichia coli MTAN assessed as reduction in methylthioadenosine... | 22854195 |
| S-methyl-5'-thioadenosine phosphorylase | Ki | = | 34.0 | nM | 7.47 | Inhibition of human MTAP assessed as reduction in methylthioadenosine phosphorol... | 22854195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22854195 | 10.1016/j.bmc.2012.07.006 | Unchecked | 2 |
| 22854195 | 10.1016/j.bmc.2012.07.006 | S-methyl-5'-thioadenosine phosphorylase | 1 |
Data from ChEMBL 36 via Core Engine