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Compound Detail

CHEMBL456426

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CC1CN(c2ccc(O)c(C(=O)O)c2)C(=S)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL456426
Phase Preclinical
Structure Type MOL
InChI Key FUOCBIPZOQBEKB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

280.3
MW (Da)
0.95
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N2O4S
MW 280.31
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.48

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