Cefiderocol (CED0004636)

Record Information

Version

1.0

Creation Date

2026-04-14 19:58:59 UTC

Update Date

2026-08-31 15:55:13 UTC

Accession Number

CHEM132604

Identification

Common Name

Cefiderocol

Class

Small Molecule

Description

Cefiderocol is an organic compound with the chemical formula C30H34ClN7O10S2. Cefiderocol belongs to the beta lactams, a subclass of lactams within the organic compounds. With an average molecular weight of 752.21 g/mol, Cefiderocol is a heavy molecule. This compound is classified as an organoheterocyclic compound. In terms of its application and distribution, Cefiderocol is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically as a beta-lactam antibacterial. The recorded exposure route for this compound is intravenous. Cefiderocol acts upon five recorded protein targets. It functions as an inhibitor of Penicillin-binding protein 1A (mrcA), Penicillin-binding protein 1B (ponB), Peptidoglycan D,D-transpeptidase FtsI (pbpB), and Peptidoglycan D,D-transpeptidase MrdA (pbpA). Additionally, it targets one other protein.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₃₀H₃₄ClN₇O₁₀S₂

Average Molecular Mass

752.210 g/mol

Monoisotopic Mass

751.150 g/mol

CAS Registry Number

1225208-94-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@]12SCC(C[N+]3(CCNC(=O)C4=C(Cl)C(O)=C(O)C=C4)CCCC3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C(O)=O)\C1=CSC(N)=N1)C([O-])=O

InChI Identifier

InChI=1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1

InChI Key

DBPPRLRVDVJOCL-FQRUVTKNSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
7627.0	Log mg/kg	[4300:14000]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
341	Beta-lactam antibacterials	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

1 pathway

Cefiderocol Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Peptidoglycan D,D-transpeptidase FtsI	Q51504	Pseudomonas aeruginosa	Predicted (SEA)	0.233548
Click to view 3D structure	Penicillin-binding protein 1A	Q07806	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	0.233548
Click to view 3D structure	SHV-5 extended spectrum beta-lactamase	Q6REX6	Escherichia coli	Predicted (SEA)	0.233548
Click to view 3D structure	Beta-lactamase	B2ZTR6	Acinetobacter baumannii	Predicted (SEA)	0.155698
Click to view 3D structure	ADC-11	D6NSM8	Acinetobacter baumannii	Predicted (SEA)	0.155698
Click to view 3D structure	AmpC	Q83TT7	Escherichia coli	Predicted (SEA)	0.311397
Click to view 3D structure	Solute carrier family 22 member 6	Q4U2R8	Humans	Predicted (SEA)	1.47914
Click to view 3D structure	Organic anion transporter 3	Q8TCC7	Humans	Predicted (SEA)	2.64687
Click to view 3D structure	Solute carrier family 22 member 11	Q9NSA0	Humans	Predicted (SEA)	0.856341
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	138.494
Click to view 3D structure	Beta-lactamase ACC-4	A4ZYU9	Escherichia coli	Predicted (SEA)	0.389246
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	152.896
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	1524.91
Click to view 3D structure	Speckle-type POZ protein	O43791	Humans	Predicted (SEA)	12.8451
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	756.461
Click to view 3D structure	26S proteasome non-ATPase regulatory subunit 14	O00487	Humans	Predicted (SEA)	96.4552
Click to view 3D structure	Efflux transporter	Q3S5C3	Salmonella newport	Predicted (SEA)	1.01204
Click to view 3D structure	Class C beta-lactamase CMY-36	Q48435	Klebsiella pneumoniae	Predicted (SEA)	1.01204
Click to view 3D structure	Epithelial sodium channel subunit alpha	Q61180	Mus musculus	Predicted (SEA)	46.8652
Click to view 3D structure	Small ubiquitin-related modifier 1	P63165	Humans	Predicted (SEA)	1702.8
Click to view 3D structure	PER-2 beta-lactamase	A2RP81	Citrobacter freundii	Predicted (SEA)	1.47914
Click to view 3D structure	DNA (cytosine-5)-methyltransferase 1	P26358	Humans	Predicted (SEA)	2224.0
Click to view 3D structure	Probable nicotinate-nucleotide adenylyltransferase	P65502	Staphylococcus aureus (strain N315)	Predicted (SEA)	1173.73
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 11	Q06124	Humans	Predicted (SEA)	2354.32
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	5974.62