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Compound Detail

CHEMBL5208939

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CO[C@@H]1c2c[nH]c3ccc(O)c(c23)C(c2c[nH]c3ccc(O)cc23)=N[C@@H]1C(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5208939
Phase Preclinical
Structure Type MOL
InChI Key VIKRCJINKJIMLX-IFMALSPDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

389.4
MW (Da)
3.56
ALogP
5
HBA
4
HBD
110.7
PSA (Ų)
0.43
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H19N3O4
MW 389.41
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness 0.92

Literature References

PubMed DOI Target Context # Activities
33153766 10.1016/j.ejmech.2020.112945 Bacillus subtilis 1
33153766 10.1016/j.ejmech.2020.112945 Escherichia coli 1

Data from ChEMBL 36 via Core Engine