Compound Detail
CHEMBL3094106
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Nc1ccn([C@@H]2O[C@H](CNC(=O)c3ccnc4nc[nH]c34)[C@@H](O)[C@H]2O)c(=O)n1
Basic Information
| ChEMBL ID | CHEMBL3094106 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXIXXIKJCCIIIK-PMXXHBEXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
-1.85
ALogP
10
HBA
5
HBD
181.3
PSA (Ų)
0.34
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase CHEMBL3091270 | Kd | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | Kd | = | 90000.0 | nM | 4.05 | Binding affinity to Burkolderia pseudomallei IspF by surface plasmon resonance m... | 24157367 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24157367 | 10.1016/j.bmcl.2013.09.101 | Plasmodium falciparum | 3 |
| 24157367 | 10.1016/j.bmcl.2013.09.101 | Burkholderia thailandensis | 1 |
| 24157367 | 10.1016/j.bmcl.2013.09.101 | 2-C-methyl-D-erythritol 2,4-cyclodiphosphate synthase | 1 |
Data from ChEMBL 36 via Core Engine