Compound Detail
CHEMBL2325153
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CCN1CCN(C(=O)NCCOc2ccc3sc(CNc4nncc(-c5c(C)cccc5O)n4)nc3c2)C(=O)C1=O
Basic Information
| ChEMBL ID | CHEMBL2325153 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GKGJMXDWNPLFGE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
576.6
MW (Da)
2.55
ALogP
11
HBA
3
HBD
162.8
PSA (Ų)
0.20
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 520.0 | nM | 6.28 | Inhibition of Escherichia coli HldE-kinase preincubated for 30 mins prior to sub... | 23445125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445125 | 10.1021/jm400097h | Escherichia coli | 3 |
| 23445125 | 10.1021/jm400097h | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine