Compound Detail
CHEMBL295619
RUFLOXACIN 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL295619 |
| Name | RUFLOXACIN |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NJCJBUHJQLFDSW-UHFFFAOYSA-N |
1
Targets
7
Activities
2
Assay Types
30
PK Parameters
20
Publications
5
Known Names
1
Indications
Molecular Properties
363.4
MW (Da)
1.70
ALogP
6
HBA
1
HBD
65.8
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Indications
Bacterial Infections
ATC Classification
J01MA10
rufloxacin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE
Activity Summary
IC50 6 meas. best 5.61
EC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.61 | 5.31 | 2460.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | - | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.217 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 4.183 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | mL.min-1.kg-1 | Rattus norvegicus |
| CL | - | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 9.9 | hr | - |
| T1/2 | 9.9 | hr | - |
| T1/2 | 8.7 | hr | - |
| T1/2 | 8.7 | hr | - |
| T1/2 | 8.7 | hr | - |
| T1/2 | 12.0 | hr | Canis lupus familiaris |
| T1/2 | 50.0 | hr | Macaca fascicularis |
| T1/2 | 30.0 | hr | Homo sapiens |
| T1/2 | 35.0 | hr | Homo sapiens |
| T1/2 | 32.0 | hr | Homo sapiens |
| Tmax | - | hr | Rattus norvegicus |
| Tmax | - | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Tmax | 1.0 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Canis lupus familiaris |
| Tmax | 2.0 | hr | Macaca fascicularis |
| Tmax | 4.0 | hr | Homo sapiens |
| Tmax | 4.0 | hr | Homo sapiens |
| Tmax | 2.0 | hr | Homo sapiens |
| Vd | 3.0 | L.kg-1 | Rattus norvegicus |
| Vd | 3.0 | L.kg-1 | Rattus norvegicus |
| Vd | - | L.kg-1 | Rattus norvegicus |
| Vd | - | L.kg-1 | Rattus norvegicus |
| Vd | - | L.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2460.0 | nM | 5.61 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 3158.0 | nM | 5.5 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 4430.0 | nM | 5.35 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
| Unchecked | IC50 | = | 6280.0 | nM | 5.2 | PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... | - |
| Unchecked | IC50 | = | 7730.0 | nM | 5.11 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 8060.0 | nM | 5.09 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3820216 | 10.1021/jm00386a005 | ADMET | 41 |
| 3820216 | 10.1021/jm00386a005 | Rattus norvegicus | 16 |
| 3820216 | 10.1021/jm00386a005 | Homo sapiens | 15 |
| 8230136 | 10.1021/jm00074a028 | Rattus norvegicus | 6 |
| 3820216 | 10.1021/jm00386a005 | Cynomolgus monkey | 5 |
| 3820216 | 10.1021/jm00386a005 | Canis familiaris | 5 |
| 37468498 | 10.1038/s41467-023-40064-9 | Histamine H1 receptor | 3 |
| 20855738 | 10.1128/aac.01054-10 | Escherichia coli | 3 |
| 37468498 | 10.1038/s41467-023-40064-9 | Nuclear receptor subfamily 1 group I member 2 | 2 |
| 9171879 | 10.1021/jm960385p | Escherichia coli | 2 |
| 9171879 | 10.1021/jm960385p | Staphylococcus aureus | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Gamma-aminobutyric acid receptor subunit alpha-1 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-2A adrenergic receptor | 2 |
| 11020296 | 10.1021/jm9903390 | Human immunodeficiency virus 1 | 2 |
| 9171879 | 10.1021/jm960385p | Staphylococcus epidermidis | 2 |
| 29360043 | 10.1016/j.ejmech.2018.01.039 | Plasmodium falciparum | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Alpha-1A adrenergic receptor | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Progesterone receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 37468498 | 10.1038/s41467-023-40064-9 | Muscarinic acetylcholine receptor M2 | 2 |
Data from ChEMBL 36 via Core Engine