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Compound Detail

CHEMBL493345

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COc1ccccc1-c1nnc(Sc2nc3ccc(Cl)cc3s2)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL493345
Phase Preclinical
Structure Type MOL
InChI Key ZERQSUOQRSTEET-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.0
MW (Da)
6.36
ALogP
7
HBA
0
HBD
52.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H15ClN4OS2
MW 450.98
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -2.08

Literature References

PubMed DOI Target Context # Activities
19282190 10.1016/j.bmc.2009.02.046 Unchecked 2

Data from ChEMBL 36 via Core Engine