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Compound Detail

CHEMBL1084579

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O=c1[nH]nc(SCCS(=O)(=O)c2ccc(Cl)cc2Cl)n1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1084579
Phase Preclinical
Structure Type MOL
InChI Key BDZUPJJQFOSZOV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

488.4
MW (Da)
3.20
ALogP
8
HBA
1
HBD
103.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl2N3O5S2
MW 488.37
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.07

Literature References

PubMed DOI Target Context # Activities
20471252 10.1016/j.bmcl.2010.04.095 Fatty acid-binding protein, adipocyte 2

Data from ChEMBL 36 via Core Engine