Structure

InChI Key HCTVWSOKIJULET-LQDWTQKMSA-M
Smile CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)[O-].[K+]
InChI
InChI=1S/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1/p-1/t11-,12+,14-;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H17KN2O5S
Molecular Weight 388.49
AlogP 0.7
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 1.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial penicillin-binding protein inhibitor DailyMed Wikipedia

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
21.78
Skin and subcutaneous tissue disorders
19.48
General disorders and administration site conditions
11.9
Gastrointestinal disorders
10.21
Respiratory, thoracic and mediastinal disorders
5.87
Nervous system disorders
5.68
Cardiac disorders
3.61
Psychiatric disorders
3.34
Vascular disorders
3.2
Injury, poisoning and procedural complications
2.99
Musculoskeletal and connective tissue disorders
2.01

Cross References

Resources Reference
ChEBI 7967
ChEMBL CHEMBL1200852
EPA CompTox DTXSID7021102
FDA SRS 146T0TU1JB
PubChem 23676814
SureChEMBL SCHEMBL41271