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Compound Detail

CHEMBL2023945

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CC(=O)c1sc(Nc2ccc3c(c2)OCO3)nc1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023945
Phase Preclinical
Structure Type MOL
InChI Key NLYLZZAQCKNVQY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
3.13
ALogP
6
HBA
1
HBD
60.5
PSA (Ų)
0.87
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 C13H12N2O3S
MW 276.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.70

Literature References

PubMed DOI Target Context # Activities
22516282 10.1016/j.bmcl.2012.03.013 Unchecked 2
22516282 10.1016/j.bmcl.2012.03.013 Prostaglandin G/H synthase 2 2
- 10.6019/CHEMBL4888484 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine