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Compound Detail

CHEMBL523349

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Cc1nnc(Sc2nc3ccc(Cl)cc3s2)n1-c1ccc2c(c1)OCCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL523349
Phase Preclinical
Structure Type MOL
InChI Key TXTGGHJNBIEBRL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

416.9
MW (Da)
4.76
ALogP
8
HBA
0
HBD
62.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H13ClN4O2S2
MW 416.92
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -2.32

Literature References

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

Data from ChEMBL 36 via Core Engine