CYCLACILLIN

Search structure
Trade Names:
Synonyms:
Status: Approved (1979)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 72ZJ154X86

Structure
InChI Key HGBLNBBNRORJKI-WCABBAIRSA-N
Smile CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O
InChI
InChI=1S/C15H23N3O4S/c1-14(2)9(12(20)21)18-10(19)8(11(18)23-14)17-13(22)15(16)6-4-3-5-7-15/h8-9,11H,3-7,16H2,1-2H3,(H,17,22)(H,20,21)/t8-,9+,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3O4S
Molecular Weight 341.43
AlogP 0.28
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 112.73
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC15 family of peptide transporters
- - - 43652-44000 -

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 3485-14-1
ChEBI 31444
ChEMBL CHEMBL1200356
DrugBank DB01000
DrugCentral 632
EPA CompTox DTXSID9022861
FDA SRS 72ZJ154X86
Human Metabolome Database HMDB0015135
Guide to Pharmacology 4817
KEGG C12766
PharmGKB PA164743456
PubChem 19003
SureChEMBL SCHEMBL33900
ZINC ZINC000003830609
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