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Compound Detail

CHEMBL3989974

CEFIDEROCOL
💊 Approved Drug
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💊 Approved Drug
CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3989974
Name CEFIDEROCOL
Phase Approved
Structure Type MOL
InChI Key DBPPRLRVDVJOCL-FQRUVTKNSA-N
Therapeutic ✓ Yes

Known Names

Cefiderocol GSK-2696266 GSK2696266 RSC-649266 RSC649266 S-649266 S649266
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names
7
Indications
1
Mechanisms

Molecular Properties

752.2
MW (Da)
-0.18
ALogP
14
HBA
6
HBD
256.9
PSA (Ų)
0.05
QED
3
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 2019
Availability Prescription
Chirality Single Enantiomer

Routes of Administration

Parenteral

Flags

Natural Product
USAN Stem cef-
USAN Year 2017

Extended Properties

Molecular Formula C30H34ClN7O10S2
MW 752.23
Aromatic Rings 2
Heavy Atoms 50
NP-Likeness 0.01

Mechanism of Action

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

Indications

Bacterial Infections Pneumonia Gram-Negative Bacterial Infections Infections Urinary Tract Infections Pneumonia, Bacterial Sepsis

ATC Classification

J01DI04
cefiderocol
Level 1: ANTIINFECTIVES FOR SYSTEMIC USE
Level 2: ANTIBACTERIALS FOR SYSTEMIC USE

Activity Summary

IC50 1 meas. best 7.38

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Voltage-gated inwardly rectifying potassium channel KCNH2
CHEMBL240
 IC50 7.38 7.38 42.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Voltage-gated inwardly rectifying potassium channel KCNH2 IC50 = 42.0 nM 7.38 Inhibition of hERG by whole cell Qpatch assay 38596897

Literature References

PubMed DOI Target Context # Activities
38596897 10.1021/acs.jmedchem.4c00265 Acinetobacter baumannii 13
34619959 10.1021/acs.jmedchem.1c01482 Escherichia coli 13
38596897 10.1021/acs.jmedchem.4c00265 Pseudomonas aeruginosa 9
38596897 10.1021/acs.jmedchem.4c00265 Escherichia coli 9
29960205 10.1016/j.ejmech.2018.06.014 Pseudomonas aeruginosa 7
38596897 10.1021/acs.jmedchem.4c00265 Klebsiella pneumoniae 6
32420736 10.1021/acs.jmedchem.0c00255 Pseudomonas aeruginosa 4
32420736 10.1021/acs.jmedchem.0c00255 Klebsiella pneumoniae 4
37031730 10.1016/j.bmcl.2023.129282 Klebsiella pneumoniae 3
34080858 10.1021/acs.jmedchem.1c00621 Escherichia coli 3
34080858 10.1021/acs.jmedchem.1c00621 Klebsiella pneumoniae 3
36758304 10.1016/j.ejmech.2023.115172 Enterobacteriaceae 2
37031730 10.1016/j.bmcl.2023.129282 Pseudomonas aeruginosa 2
34080858 10.1021/acs.jmedchem.1c00621 Acinetobacter baumannii 2
34080858 10.1021/acs.jmedchem.1c00621 Pseudomonas aeruginosa 2
34619959 10.1021/acs.jmedchem.1c01482 Acinetobacter baumannii 1
29960205 10.1016/j.ejmech.2018.06.014 No relevant target 1
29960205 10.1016/j.ejmech.2018.06.014 Escherichia coli 1
29960205 10.1016/j.ejmech.2018.06.014 Klebsiella pneumoniae 1
38596897 10.1021/acs.jmedchem.4c00265 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine