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Compound Detail

CHEMBL246702

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CS(=O)(=O)c1ccc2nc(NCCNc3nc4ccc(S(C)(=O)=O)cc4s3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL246702
Phase Preclinical
Structure Type MOL
InChI Key BXERIKAIHNXHDJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

482.6
MW (Da)
3.24
ALogP
10
HBA
2
HBD
118.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4O4S4
MW 482.63
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
17544669 10.1016/j.bmcl.2007.04.079 Unchecked 1

Data from ChEMBL 36 via Core Engine