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Compound Detail

CHEMBL3577971

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O=C(O)CCc1nnc(SCC(=O)Nc2ccccc2)[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577971
Phase Preclinical
Structure Type MOL
InChI Key VBMLONOEAYYVRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

306.4
MW (Da)
1.55
ALogP
5
HBA
3
HBD
108.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N4O3S
MW 306.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
25893049 10.1021/ml500534c Unchecked 1
25893049 10.1021/ml500534c Metallo-beta-lactamase type 2 1
25893049 10.1021/ml500534c Beta-lactamase L1 1
25893049 10.1021/ml500534c Beta-lactamase 1

Data from ChEMBL 36 via Core Engine