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Compound Detail

CHEMBL5175419

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CNc1cc(F)cc2c1[nH]c1nc(Oc3cnc(C)nc3)nc(N3CC(=C(C)CN)C3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5175419
Phase Preclinical
Structure Type MOL
InChI Key IZKNLEYOVITWGM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

434.5
MW (Da)
3.28
ALogP
8
HBA
3
HBD
117.9
PSA (Ų)
0.41
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23FN8O
MW 434.48
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -0.74

Literature References

PubMed DOI Target Context # Activities
34080858 10.1021/acs.jmedchem.1c00621 Staphylococcus aureus 2
34080858 10.1021/acs.jmedchem.1c00621 Staphylococcus epidermidis 2
34080858 10.1021/acs.jmedchem.1c00621 Escherichia coli 2
34080858 10.1021/acs.jmedchem.1c00621 Voltage-gated inwardly rectifying potassium channel KCNH2 2
34080858 10.1021/acs.jmedchem.1c00621 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine