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Compound Detail

CHEMBL370252

FLUMEQUINE
🧪 Phase II
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🧪 Phase II
CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL370252
Name FLUMEQUINE
Phase Phase II
Structure Type MOL
InChI Key DPSPPJIUMHPXMA-UHFFFAOYSA-N

Known Names

Apurone Flumequina Flumequine NSC-757806
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
20
Publications
4
Known Names
1
Indications

Molecular Properties

261.2
MW (Da)
2.35
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.86
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Year 1975

Extended Properties

Molecular Formula C14H12FNO3
MW 261.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.50

Indications

Bacterial Infections

ATC Classification

J01MB07
flumequine
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Activity Summary

IC50 6 meas. best 5.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.23 4.97 5940.0 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5940.0 nM 5.23 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 6150.0 nM 5.21 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 9567.0 nM 5.02 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 13520.0 nM 4.87 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 15580.0 nM 4.81 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked IC50 = 20860.0 nM 4.68 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -

Literature References

PubMed DOI Target Context # Activities
18443112 10.1128/aac.00084-08 Salmonella typhimurium 41
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
17502408 10.1128/aac.00315-07 Vibrio anguillarum 6
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
29360043 10.1016/j.ejmech.2018.01.039 Plasmodium falciparum 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL3301361 No relevant target 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
24249037 10.1007/s11095-013-1232-z No relevant target 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
20810286 10.1016/j.bmc.2010.08.003 No relevant target 1

Data from ChEMBL 36 via Core Engine