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Compound Detail

CHEMBL5566294

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Cc1cc(N2CCN(c3ccnc4cc(Cl)ccc34)CC2)n2nc(C)nc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5566294
Phase Preclinical
Structure Type MOL
InChI Key OTZMVPVKFFLJFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

393.9
MW (Da)
3.27
ALogP
7
HBA
0
HBD
62.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20ClN7
MW 393.88
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.87

Literature References

PubMed DOI Target Context # Activities
38290351 10.1016/j.ejmech.2024.116163 Plasmodium falciparum 2
38290351 10.1016/j.ejmech.2024.116163 Dihydroorotate dehydrogenase (quinone), mitochondrial 2
38290351 10.1016/j.ejmech.2024.116163 HepG2 1

Data from ChEMBL 36 via Core Engine