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Compound Detail

CHEMBL494329

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Cn1c(Sc2nc3ccc(Cl)cc3s2)nnc1-c1ccc2ncccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL494329
Phase Preclinical
Structure Type MOL
InChI Key VCZZOVPLXUIHPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

409.9
MW (Da)
5.44
ALogP
7
HBA
0
HBD
56.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H12ClN5S2
MW 409.93
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.35

Literature References

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

Data from ChEMBL 36 via Core Engine