NAFCILLIN SODIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 49G3001BCK
Parent Compound: NAFCILLIN

Structure
InChI Key AYAPZOUDXCDGIF-FRFVDRIFSA-M
Smile CCOc1ccc2ccccc2c1C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)[O-])C(C)(C)S[C@H]12.[Na+]
InChI
InChI=1S/C21H22N2O5S.Na/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23;/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27);/q;+1/p-1/t15-,16+,19-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H23N2NaO6S
Molecular Weight 454.48
AlogP 2.48
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 95.94
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 29.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Penicillin-binding protein inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 35.3
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -28.32-5.86
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 114.4

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 1 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Hepatobiliary disorders
14.15
General disorders and administration site conditions
10.89
Immune system disorders
10.73
Gastrointestinal disorders
8.62
Skin and subcutaneous tissue disorders
8.46
Blood and lymphatic system disorders
6.5
Infections and infestations
6.5
Injury, poisoning and procedural complications
6.34
Investigations
5.69
Metabolism and nutrition disorders
5.69
Vascular disorders
5.53
Renal and urinary disorders
3.74
Cardiac disorders
2.28

Cross References

Resources Reference
ChEBI 51919
ChEMBL CHEMBL1568276
EPA CompTox DTXSID7045570
FDA SRS 49G3001BCK
PubChem 23704143
SureChEMBL SCHEMBL65687
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