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Compound Detail

CHEMBL349392

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CN(C)CCNC(=O)c1cccc2c1Sc1ccccc1S2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL349392
Phase Preclinical
Structure Type MOL
InChI Key VQXIWLHSMYESRH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
3.59
ALogP
4
HBA
1
HBD
32.3
PSA (Ų)
0.79
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 C17H18N2OS2
MW 330.48
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.16

Literature References

PubMed DOI Target Context # Activities
3351846 10.1021/jm00399a003 Calf thymus DNA 2
3351846 10.1021/jm00399a003 P388 2
3351846 10.1021/jm00399a003 L1210 1

Data from ChEMBL 36 via Core Engine