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Compound Detail

CHEMBL3547502

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O=c1[nH]ccc2nc(NC3CCCNC3)nc(Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3547502
Phase Preclinical
Structure Type MOL
InChI Key HVFMIMXTUYSRPE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

485.6
MW (Da)
1.25
ALogP
9
HBA
4
HBD
141.3
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N7O4S
MW 485.57
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.52

Literature References

PubMed DOI Target Context # Activities
31585276 10.1016/j.ejmech.2019.111711 Toxoplasma gondii 1

Data from ChEMBL 36 via Core Engine