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Compound Detail

CHEMBL41169

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CCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL41169
Phase Preclinical
Structure Type MOL
InChI Key ZQTVCQIJTREKSP-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
4.83
ALogP
4
HBA
0
HBD
23.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H24N2OS
MW 340.49
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
9457238 10.1021/jm960814j Mus musculus 3
9457238 10.1021/jm960814j Trypanothione reductase 1

Data from ChEMBL 36 via Core Engine