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Compound Detail

CHEMBL459370

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C=CCSC1Nn2c(nnc(C)c2=O)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459370
Phase Preclinical
Structure Type MOL
InChI Key PPRFGLNCUPRMEF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
0.80
ALogP
7
HBA
1
HBD
59.8
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H10N4OS2
MW 242.33
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.23

Literature References

PubMed DOI Target Context # Activities
19185501 10.1016/j.bmc.2009.01.004 Unchecked 1
19185501 10.1016/j.bmc.2009.01.004 Beta-ketoacyl-[acyl-carrier-protein] synthase III 1

Data from ChEMBL 36 via Core Engine