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Compound Detail

CHEMBL3299076

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O=Cc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3299076
Phase Preclinical
Structure Type MOL
InChI Key OQQDRPOPMOTNCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.27
ALogP
5
HBA
1
HBD
72.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H11N3O2S
MW 309.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.74

Literature References

PubMed DOI Target Context # Activities
24786226 10.1021/jm401675a Unchecked 1
24786226 10.1021/jm401675a Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine