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Compound Detail

CHEMBL1782969

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CC(C)(Oc1cccc(-c2ccccc2-c2cc(-c3cccs3)n(-c3ccc(Cl)cc3)n2)c1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1782969
Phase Preclinical
Structure Type MOL
InChI Key HOACFVYJBHHSBC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

515.0
MW (Da)
7.83
ALogP
5
HBA
1
HBD
64.3
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H23ClN2O3S
MW 515.03
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.15

Literature References

PubMed DOI Target Context # Activities
21481589 10.1016/j.bmcl.2011.03.063 RAW264.7 2
21481589 10.1016/j.bmcl.2011.03.063 Fatty acid-binding protein, adipocyte 1
21481589 10.1016/j.bmcl.2011.03.063 Fatty acid-binding protein, heart 1

Data from ChEMBL 36 via Core Engine