CARBENICILLIN

Search structure
Synonyms:
Status: Approved (1982)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01CA03
UNII: G42ZU72N5G

Structure
InChI Key FPPNZSSZRUTDAP-UWFZAAFLSA-N
Smile CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)O)c3ccccc3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9?,10-,11+,14-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H18N2O6S
Molecular Weight 378.41
AlogP 0.49
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 124.01
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 70

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 3393
ChEMBL CHEMBL1214
DrugBank DB00578
DrugCentral 492
EPA CompTox DTXSID6048464
FDA SRS G42ZU72N5G
Human Metabolome Database HMDB0014717
Guide to Pharmacology 10768
KEGG C06869
PharmGKB PA448788
PubChem 20824
SureChEMBL SCHEMBL3375
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