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Compound Detail

CHEMBL303602

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O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1nncs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL303602
Phase Preclinical
Structure Type MOL
InChI Key VLKAURWKADMDBL-POHAHGRESA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.81
ALogP
7
HBA
1
HBD
58.1
PSA (Ų)
0.69
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 C13H10N4OS3
MW 334.45
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -2.40

Activity Summary

IC50 2 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