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Compound Detail

CHEMBL2023849

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Clc1ccc(-c2csc(Nc3cccc4ccccc34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2023849
Phase Preclinical
Structure Type MOL
InChI Key MHGCDBNQFDHVEZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.9
MW (Da)
6.36
ALogP
3
HBA
1
HBD
24.9
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H13ClN2S
MW 336.85
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.79

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

Data from ChEMBL 36 via Core Engine