Compound Detail
CHEMBL3301608
LANOPEPDEN 🧪 Phase II
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🧪 Phase II
Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N2CCN3CCOC[C@@H]3C2)n1
Basic Information
| ChEMBL ID | CHEMBL3301608 |
| Name | LANOPEPDEN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | SWHNZGMQMGFQGW-MSOLQXFVSA-N |
2
Targets
3
Activities
1
Assay Types
7
PK Parameters
11
Publications
7
Known Names
1
Indications
Molecular Properties
479.6
MW (Da)
0.93
ALogP
9
HBA
3
HBD
123.2
PSA (Ų)
0.27
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Indications
Infections
Activity Summary
IC50 3 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.52 | 8.52 | 3.0 | 2 |
| Peptide deformylase CHEMBL2010635 | IC50 | 7.92 | 7.92 | 12.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 720.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 1451.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 88.0 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 1880.89 | nM | Rattus norvegicus |
| F | 91.0 | % | Rattus norvegicus |
| T1/2 | 0.7 | hr | Rattus norvegicus |
| t1/2 | - | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Haemophilus influenzae PDF by absorbance detection assay | 31160176 |
| Unchecked | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Streptococcus pneumoniae PDF by absorbance detection assay | 31160176 |
| Peptide deformylase | IC50 | = | 12.0 | nM | 7.92 | Inhibition of Staphylococcus aureus PDF by absorbance detection assay | 31160176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27293070 | 10.1016/j.bmcl.2016.05.077 | Staphylococcus aureus | 8 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | ADMET | 8 |
| 27293070 | 10.1016/j.bmcl.2016.05.077 | Staphylococcus epidermidis | 7 |
| 27293070 | 10.1016/j.bmcl.2016.05.077 | Enterococcus faecalis | 4 |
| 27293070 | 10.1016/j.bmcl.2016.05.077 | Escherichia coli | 4 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Unchecked | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Staphylococcus aureus | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Haemophilus influenzae | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Streptococcus pneumoniae | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | No relevant target | 2 |
| 31160176 | 10.1016/j.bmcl.2019.05.028 | Peptide deformylase | 1 |
Data from ChEMBL 36 via Core Engine