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Compound Detail

CHEMBL1084821

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c1cc(CSc2nc3ccccc3[nH]2)nc(CSc2nc3ccccc3[nH]2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1084821
Phase Preclinical
Structure Type MOL
InChI Key TYMDRIURLRAWCF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.5
MW (Da)
5.42
ALogP
5
HBA
2
HBD
70.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H17N5S2
MW 403.54
Aromatic Rings 5
Heavy Atoms 28
NP-Likeness -1.22

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