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Compound Detail

CHEMBL452241

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Nc1nc2sc3c(c2c(=O)s1)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL452241
Phase Preclinical
Structure Type MOL
InChI Key CLDVQGQXZUANQB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
2.18
ALogP
5
HBA
1
HBD
56.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2OS2
MW 238.34
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
18707884 10.1016/j.bmcl.2008.07.127 Multidrug resistance-associated protein 1 1
18707884 10.1016/j.bmcl.2008.07.127 ATP-binding cassette sub-family C member 2 1
18707884 10.1016/j.bmcl.2008.07.127 ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine