CEFAMANDOLE NAFATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1978)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 8HDO7941DO

Structure
InChI Key RRJHESVQVSRQEX-SUYBPPKGSA-N
Smile Cn1nnnc1SCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](OC=O)c3ccccc3)[C@H]2SC1
InChI
InChI=1S/C19H18N6O6S2/c1-24-19(21-22-23-24)33-8-11-7-32-17-12(16(28)25(17)13(11)18(29)30)20-15(27)14(31-9-26)10-5-3-2-4-6-10/h2-6,9,12,14,17H,7-8H2,1H3,(H,20,27)(H,29,30)/t12-,14-,17-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H17N6NaO6S2
Molecular Weight 512.51
AlogP -0.04
Hydrogen Bond Acceptor 11.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 156.61
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor ISBN ISBN Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 63

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 57268-80-1
ChEBI 53654
ChEMBL CHEMBL1201218
DrugBank DB14725
DrugCentral 528
EPA CompTox DTXSID00205891
FDA SRS 8HDO7941DO
PubChem 23665731
SureChEMBL SCHEMBL6440440
ZINC ZINC000003830397
CAS NUMBER 57268-80-1
ChEBI 3481
ChEMBL CHEMBL1618
EPA CompTox DTXSID2022751
FDA SRS 8HDO7941DO
KEGG C08102
PubChem 23665731
SureChEMBL SCHEMBL181311
CONTENTS