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Compound Detail

CHEMBL176953

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CCN1C(=O)/C(=C2\Sc3ccccc3N2C)SC1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL176953
Phase Preclinical
Structure Type MOL
InChI Key BXNZOCAILBRXHJ-ZRDIBKRKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

308.4
MW (Da)
3.28
ALogP
5
HBA
0
HBD
23.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2OS3
MW 308.45
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.92

Literature References

PubMed DOI Target Context # Activities
11855978 10.1021/jm0155704 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine