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Compound Detail

CHEMBL5612761

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Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCOc4ccccc43)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5612761
Phase Preclinical
Structure Type MOL
InChI Key WNPYLBQTOZRUIQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.19
ALogP
5
HBA
0
HBD
60.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2
MW 348.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -2.01

Literature References

PubMed DOI Target Context # Activities
39024967 10.1016/j.ejmech.2024.116677 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine