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Compound Detail

CHEMBL4565041

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O=c1c2nccn2ccn1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4565041
Phase Preclinical
Structure Type MOL
InChI Key FVKKLKPFANVBAM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

225.2
MW (Da)
1.54
ALogP
4
HBA
0
HBD
39.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O
MW 225.25
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.36

Literature References

PubMed DOI Target Context # Activities
30468386 10.1021/acs.jmedchem.8b01578 Giardia intestinalis 1
30468386 10.1021/acs.jmedchem.8b01578 Entamoeba histolytica 1
30468386 10.1021/acs.jmedchem.8b01578 Trypanosoma brucei brucei 1

Data from ChEMBL 36 via Core Engine