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Compound Detail

CHEMBL3793495

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Cc1ccc2nc(NC(=S)NCc3ccccc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3793495
Phase Preclinical
Structure Type MOL
InChI Key FZSOIRDCCIJCAL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
4.09
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3S2
MW 313.45
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.53

Literature References

PubMed DOI Target Context # Activities
27031211 10.1016/j.ejmech.2016.03.028 Thoracic aorta 1

Data from ChEMBL 36 via Core Engine