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Compound Detail

CHEMBL5639392

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Cc1ccc(-c2cc3nc(N4CCN(C)CC4)[nH]c(=O)c3s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5639392
Phase Preclinical
Structure Type MOL
InChI Key FEDVGXXIUREGON-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.71
ALogP
5
HBA
1
HBD
52.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4OS
MW 340.45
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.71

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
37857143 10.1016/j.ejmech.2023.115873 ADMET 1

Data from ChEMBL 36 via Core Engine