Compound Detail
CHEMBL602589
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Basic Information
| ChEMBL ID | CHEMBL602589 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PPSSTFZEXVCENG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
234.3
MW (Da)
1.53
ALogP
5
HBA
1
HBD
44.1
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.75 | 5.39 | 1800.0 | 2 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 CHEMBL6036 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of Bacillus anthracis sortase A by FRET assay | 19781950 |
| Unchecked | IC50 | = | 9300.0 | nM | 5.03 | Inhibition of Staphylococcus aureus sortase A deltaN59 mutant assessed as Dap(Dn... | 19781950 |
| N(G),N(G)-dimethylarginine dimethylaminohydrolase 1 | IC50 | = | 12700.0 | nM | 4.9 | Inhibition of recombinant human DDAH1 expressed in Escherichia coli BL21 Star (D... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19781950 | 10.1016/j.bmc.2009.08.067 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine