Compound Detail
CHEMBL1229838
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Basic Information
| ChEMBL ID | CHEMBL1229838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDWYBFCNTYIRFX-UHFFFAOYSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
303.2
MW (Da)
-1.10
ALogP
7
HBA
4
HBD
156.3
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.16
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 6.16 | 5.6233 | 700.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 700.0 | nM | 6.16 | Inhibition of Escherichia coli XGPRT expressed in Escherichia coli SPhi606 using... | 23927482 |
| Unchecked | Ki | = | 1760.0 | nM | 5.75 | Inhibition of N-terminal hexa-histidine tagged Mycobacterium tuberculosis HGPRT ... | 25915781 |
| Unchecked | Ki | = | 11000.0 | nM | 4.96 | Inhibition of Escherichia coli recombinant XGPRT mutant expressed in Escherichia... | 23927482 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23448281 | 10.1021/jm301893b | Plasmodium falciparum | 2 |
| 23927482 | 10.1021/jm400779n | Unchecked | 2 |
| 22178188 | 10.1016/j.bmc.2011.11.034 | Unchecked | 1 |
| 23448281 | 10.1021/jm301893b | ADMET | 1 |
| 23448281 | 10.1021/jm301893b | C32 | 1 |
| 23448281 | 10.1021/jm301893b | A549 | 1 |
| 25915781 | 10.1021/acs.jmedchem.5b00611 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine