Compound Detail
CHEMBL1233207
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Basic Information
| ChEMBL ID | CHEMBL1233207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ARUATFPHVPUVFJ-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
288.2
MW (Da)
-0.69
ALogP
6
HBA
3
HBD
130.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 5.82 | 4.92 | 1500.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 1500.0 | nM | 5.82 | Inhibition of Escherichia coli XGPRT expressed in Escherichia coli SPhi606 using... | 23927482 |
| Unchecked | Ki | = | 17000.0 | nM | 4.77 | Inhibition of Escherichia coli HPRT expressed in Escherichia coli SPhi606 using ... | 23927482 |
| Unchecked | Ki | = | 18000.0 | nM | 4.75 | Inhibition of N-terminal hexa-histidine tagged Mycobacterium tuberculosis HGPRT ... | 25915781 |
| Unchecked | Ki | = | 46000.0 | nM | 4.34 | Inhibition of Escherichia coli recombinant XGPRT mutant expressed in Escherichia... | 23927482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23927482 | 10.1021/jm400779n | Unchecked | 3 |
| 22178188 | 10.1016/j.bmc.2011.11.034 | Unchecked | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine