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Compound Detail

CHEMBL5641821

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Cc1ccc(-c2cc3nc(NC4CCCCC4)[nH]c(=O)c3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5641821
Phase Preclinical
Structure Type MOL
InChI Key BGXSXVLFSWHGMY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

339.5
MW (Da)
4.70
ALogP
4
HBA
2
HBD
57.8
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N3OS
MW 339.46
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
37857143 10.1016/j.ejmech.2023.115873 Plasmodium falciparum 1
37857143 10.1016/j.ejmech.2023.115873 HepG2 1

Data from ChEMBL 36 via Core Engine