Compound Detail
CHEMBL1951095
ERAVACYCLINE 💊 Approved Drug
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💊 Approved Drug
CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)c(NC(=O)CN5CCCC5)cc(F)c4C[C@H]3C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL1951095 |
| Name | ERAVACYCLINE |
| Phase | Approved |
| Structure Type | MOL |
| InChI Key | HLFSMUUOKPBTSM-ISIOAQNYSA-N |
| Therapeutic | ✓ Yes |
1
Targets
1
Activities
1
Assay Types
14
PK Parameters
20
Publications
4
Known Names
5
Indications
1
Mechanisms
Molecular Properties
558.6
MW (Da)
0.29
ALogP
10
HBA
6
HBD
193.7
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| First Approval | 2018 |
| Availability | Prescription |
| Chirality | Single Enantiomer |
Mechanism of Action
| Mechanism | Action Type | Target | Direct | Efficacy |
|---|---|---|---|---|
| Bacterial 70S ribosome inhibitor | INHIBITOR | Bacterial 70S ribosome | ✓ | ✓ |
Indications
Bacterial Infections Infections Urinary Tract Infections Liver Diseases Renal Insufficiency, Chronic
ATC Classification
J01AA13
eravacycline
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 1 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bacterial 70S ribosome CHEMBL2363135 | IC50 | 6.21 | 6.21 | 620.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 1766.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 295.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7.9 | ng.hr.mL-1 | Homo sapiens |
| AUC | 3.1 | ng.hr.mL-1 | Homo sapiens |
| CL | 9.4 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 17.8 | L/hr | Homo sapiens |
| Cmax | 3401.6 | nM | Homo sapiens |
| Cmax | 286.45 | nM | Homo sapiens |
| F | 1.7 | % | Rattus norvegicus |
| F | 28.0 | % | Homo sapiens |
| T1/2 | 4.0 | hr | Rattus norvegicus |
| T1/2 | 6.9 | hr | Rattus norvegicus |
| T1/2 | 10.0 | hr | Homo sapiens |
| Vd | 3.2 | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bacterial 70S ribosome | IC50 | = | 620.0 | nM | 6.21 | Inhibition of Escherichia coli ribosome-mediated translation after 60 mins by tr... | 22148514 |
Literature References
Data from ChEMBL 36 via Core Engine