Compound Detail
CHEMBL96695
CAPURAMYCIN Enter ChEMBL ID:
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CO[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1[C@@H](O[C@H]1OC(C(=O)N[C@H]2CCCCNC2=O)=C[C@H](O)[C@@H]1O)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL96695 |
| Name | CAPURAMYCIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BISOEENGZHMDEO-RLXIHFJVSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
569.5
MW (Da)
-4.57
ALogP
13
HBA
7
HBD
253.8
PSA (Ų)
0.16
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase CHEMBL3957 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.89 | 6.89 | 130.0 | 1 |
| Phospho-N-acetylmuramoyl-pentapeptide-transferase CHEMBL1770035 | IC50 | 6.48 | 6.48 | 330.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | = | 18.0 | nM | 7.75 | Inhibitory activity against translocase I | 14611838 |
| Unchecked | IC50 | = | 130.0 | nM | 6.89 | Inhibition of N-terminal 6x-His-tagged Hydrogenivirga-sp. 128-5-R1-1 MraY expres... | 32886511 |
| Phospho-N-acetylmuramoyl-pentapeptide-transferase | IC50 | = | 330.0 | nM | 6.48 | Inhibition of Staphylococcus aureus MraY assessed as reduction of dansylated lip... | 36191548 |
Literature References
Data from ChEMBL 36 via Core Engine