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Compound Detail

CHEMBL67876

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O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1nn[nH]n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67876
Phase Preclinical
Structure Type MOL
InChI Key KOOVSKIHIUMQLM-TWGQIWQCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
1.47
ALogP
7
HBA
2
HBD
86.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N6OS2
MW 318.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.17

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase 1
11012024 10.1016/s0960-894x(00)00444-3 Beta-lactamase TEM 1

Data from ChEMBL 36 via Core Engine