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Compound Detail

CHEMBL478120

MARBOFLOXACIN
🧪 Phase II
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🧪 Phase II
CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c3c2OCN4C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL478120
Name MARBOFLOXACIN
Phase Phase II
Structure Type MOL
InChI Key BPFYOAJNDMUVBL-UHFFFAOYSA-N

Known Names

Marbocyl Marbofloxacin Marbofloxacine Marbofloxacino RO 09-1168
4
Targets
8
Activities
2
Assay Types
0
PK Parameters
13
Publications
5
Known Names

Molecular Properties

362.4
MW (Da)
0.51
ALogP
7
HBA
1
HBD
78.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -oxacin

Extended Properties

Molecular Formula C17H19FN4O4
MW 362.36
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.48

Activity Summary

IC50 5 meas. best 6.58
EC50 3 meas. best 5.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.58 6.324 260.0 5
Streptococcus sp. 'group A'
CHEMBL612389
 EC50 5.55 5.55 2791.0 1
Streptococcus
CHEMBL612313
 EC50 5.51 5.51 3067.0 1
Streptokinase A
CHEMBL1293228
 EC50 5.48 5.48 3289.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 260.0 nM 6.58 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 280.0 nM 6.55 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 610.0 nM 6.21 PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... -
Unchecked IC50 = 720.0 nM 6.14 PUBCHEM_BIOASSAY: High Throughput Screening Assay used to Identify Novel Compoun... -
Unchecked IC50 = 720.0 nM 6.14 PUBCHEM_BIOASSAY: A High Throughput Confirmatory Assay used to Identify Novel Co... -
Streptococcus sp. 'group A' EC50 = 2791.0 nM 5.55 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -
Streptococcus EC50 = 3067.0 nM 5.51 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Response HTS to Identify... -
Streptokinase A EC50 = 3289.0 nM 5.48 PUBCHEM_BIOASSAY: Luminescence Microorganism-Based Dose Confirmation HTS to Iden... -

Literature References

PubMed DOI Target Context # Activities
17709467 10.1128/aac.00156-07 Escherichia coli 24
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
17709467 10.1128/aac.00156-07 NON-PROTEIN TARGET 3
17709467 10.1128/aac.00156-07 Unchecked 3
20855738 10.1128/aac.01054-10 Escherichia coli 3
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
29360043 10.1016/j.ejmech.2018.01.039 Plasmodium falciparum 2
20810286 10.1016/j.bmc.2010.08.003 No relevant target 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
29360043 10.1016/j.ejmech.2018.01.039 Plasmodium yoelii yoelii 1

Data from ChEMBL 36 via Core Engine