CEFIDEROCOL

Search structure
Synonyms:
Status: Approved (2019)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01DI04
UNII: SZ34OMG6E8

Structure
InChI Key DBPPRLRVDVJOCL-FQRUVTKNSA-N
Smile 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
InChI
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H34ClN7O10S2
Molecular Weight 752.23
AlogP -0.18
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 13.0
Polar Surface Area 256.9
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 50.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor FDA PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pneumonia 3 D011014 ClinicalTrials
Infections 2 D007239 ClinicalTrials
Urinary Tract Infections 2 D014552 ClinicalTrials
Pneumonia, Bacterial 1 D018410 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1225208-94-5
ChEBI 140376
ChEMBL CHEMBL3989974
DrugBank DB14879
DrugCentral 5352
FDA SRS SZ34OMG6E8
Guide to Pharmacology 10776
PubChem 77843966
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