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Compound Detail

CHEMBL222645

FLOXACILLIN
🧪 Phase III
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🧪 Phase III
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL222645
Name FLOXACILLIN
Phase Phase III
Structure Type MOL
InChI Key UIOFUWFRIANQPC-JKIFEVAISA-N
Therapeutic ✓ Yes

Known Names

Abboflox BRL 2039 BRL-2039 Culpen Floxacillin Floxacillin sodium Floxacillin sodium anhydrous Floxapen Fluclomix-250 Fluclomix-500 Flucloxacilina Flucloxacillin +14 more
0
Targets
3
Activities
2
Assay Types
17
PK Parameters
20
Publications
26
Known Names
7
Indications
1
Mechanisms

Molecular Properties

453.9
MW (Da)
2.69
ALogP
6
HBA
2
HBD
112.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -cillin
USAN Year 1972

Extended Properties

Molecular Formula C19H17ClFN3O5S
MW 453.88
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -0.62

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Bacterial penicillin-binding protein inhibitor INHIBITOR Bacterial penicillin-binding protein ✓ ✓

Indications

Bacterial Infections Cellulitis Skin Diseases Staphylococcal Infections Osteomyelitis Infections Renal Insufficiency, Chronic

ATC Classification

J01CF05
flucloxacillin
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Activity Summary

IC50 2 meas.
Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
CL 8.16 L/hr Homo sapiens
CL 8.18 L/hr Homo sapiens
CL 2.72 L/hr Homo sapiens
CL 2.79 L/hr Homo sapiens
CL 7.4 L/hr Homo sapiens
CL 2.1 L/hr Homo sapiens
CL 7.1 L/hr Homo sapiens
CL 2.4 mL.min-1.kg-1 Homo sapiens
CL 2.4 mL.min-1.kg-1 Homo sapiens
F 49.0 % Homo sapiens
Fu 0.043 - Homo sapiens
MRT 1.18 hr Homo sapiens
MRT 1.22 hr Homo sapiens
MRT 1.3 hr Homo sapiens
T1/2 1.4 hr Homo sapiens
T1/2 1.62 hr Homo sapiens
T1/2 1.4 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
17576847 10.1128/aac.01410-06 Homo sapiens 20
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
17576847 10.1128/aac.01410-06 Staphylococcus aureus 9
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
18426954 10.1124/dmd.108.020479 ADMET 4
20014752 10.1021/tx900326k Hepatotoxicity 3
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
21965623 10.1124/dmd.111.040758 Bile salt export pump 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 Glucocorticoid receptor 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
19445515 10.1021/jm900403j Homo sapiens 2
37468498 10.1038/s41467-023-40064-9 D(1A) dopamine receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Peroxisome proliferator-activated receptor gamma 2
37468498 10.1038/s41467-023-40064-9 Estrogen receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
17088489 10.1128/aac.00729-05 HeLa 2
17088489 10.1128/aac.00729-05 MG-63 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2

Data from ChEMBL 36 via Core Engine