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Compound Detail

CHEMBL4745925

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O=S(=O)(NCc1[nH]nnc1CNCc1ccccc1)c1ccc(I)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4745925
Phase Preclinical
Structure Type MOL
InChI Key PNFLYBFQGTYNMX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

483.3
MW (Da)
2.18
ALogP
5
HBA
3
HBD
99.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H18IN5O2S
MW 483.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.77

Literature References

PubMed DOI Target Context # Activities
32631568 10.1016/j.bmc.2020.115598 Beta-lactamase VIM-2 2
32631568 10.1016/j.bmc.2020.115598 GIM-1 protein 2
32631568 10.1016/j.bmc.2020.115598 Unchecked 2

Data from ChEMBL 36 via Core Engine