TEMOCILLIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: J01CA17
UNII: 03QB156W6I

Structure
InChI Key BVCKFLJARNKCSS-DWPRYXJFSA-N
Smile CO[C@@]1(NC(=O)C(C(=O)O)c2ccsc2)C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@@H]21
InChI
InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H18N2O7S2
Molecular Weight 414.46
AlogP 0.52
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 133.24
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor PubMed PubMed BNF PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 3 D014552 ClinicalTrials
Bacteremia 3 D016470 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 66148-78-5
ChEBI 51817
ChEMBL CHEMBL1276310
DrugBank DB12343
DrugCentral 2587
FDA SRS 03QB156W6I
Guide to Pharmacology 10926
PubChem 171758
SureChEMBL SCHEMBL34084
CONTENTS