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Compound Detail

CHEMBL1311867

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Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1311867
Phase Preclinical
Structure Type MOL
InChI Key RBNMXRRAFLQKER-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
3.85
ALogP
5
HBA
1
HBD
56.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12N2OS2
MW 300.41
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C1MD00129A Unchecked 1

Data from ChEMBL 36 via Core Engine