CEFTAROLINE

Search structure
Synonyms:
Status: Approved
Entry Type: Unknown
Molecule Category: UNKNOWN

Structure
InChI Key RGFBRLNVZCCMSV-BIRGHMBHSA-N
Smile CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(N)n1
InChI
InChI=1S/C22H20N8O5S4/c1-3-35-27-13(16-26-21(23)39-28-16)17(31)25-14-18(32)30-15(20(33)34)12(9-36-19(14)30)38-22-24-11(8-37-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H3-,23,25,26,28,31,33,34)/b27-13-/t14-,19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H20N8O5S4
Molecular Weight 604.72
AlogP -0.04
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 179.7
Molecular species None
Aromatic Rings 3.0
Heavy Atoms 39.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Protease Serine protease Serine protease unclassified
- 0.1 - - -
Enzyme Transferase
- 0.16 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bacterial Infections 3 D001424 ClinicalTrials
Pneumonia 3 D011014 ClinicalTrials
Influenza, Human 3 D007251 ClinicalTrials
Pneumonia, Bacterial 3 D018410 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Infections 2 D007239 ClinicalTrials

Related Entries

MCS

Scaffolds

CONTENTS