Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL79962

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=C(O)[C@@H]1CSC(c2ccccc2O)=N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL79962
Phase Preclinical
Structure Type MOL
InChI Key CECDPVOEINSAQG-ZETCQYMHSA-N
0
Targets
0
Activities
0
Assay Types
2
PK Parameters
16
Publications
0
Known Names

Molecular Properties

223.2
MW (Da)
1.34
ALogP
4
HBA
2
HBD
69.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H9NO3S
MW 223.25
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.93

Pharmacokinetic Data

Parameter Value Units Species
T1/2 31.7 hr -
T1/2 - hr -

Literature References

PubMed DOI Target Context # Activities
8071936 10.1021/jm00044a009 ADMET 2
7798954 10.1021/np50111a002 Rhizoctonia solani 2
7798954 10.1021/np50111a002 Globisporangium ultimum 2
7798954 10.1021/np50111a002 Botrytis cinerea 2
7798954 10.1021/np50111a002 Athelia rolfsii 2
7798954 10.1021/np50111a002 Colletotrichum gloeosporioides 2
7798954 10.1021/np50111a002 Fusarium oxysporum 2
7798954 10.1021/np50111a002 Zymoseptoria tritici 2
7798954 10.1021/np50111a002 Bacillus subtilis 2
7798954 10.1021/np50111a002 Pantoea agglomerans 2
7798954 10.1021/np50111a002 Staphylococcus 2
7798954 10.1021/np50111a002 Pseudomonas fluorescens 2
10395484 10.1021/jm990058s Rattus norvegicus 1
10395484 10.1021/jm990058s Monkey 1
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase 1
22921080 10.1016/j.bmcl.2012.08.012 Beta-lactamase II 1

Data from ChEMBL 36 via Core Engine