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Compound Detail

CHEMBL3397128

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COc1ccc2nc(-c3ccccc3)c(SC)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3397128
Phase Preclinical
Structure Type MOL
InChI Key XGIOVUJXOSKTFG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
4.03
ALogP
4
HBA
0
HBD
35.0
PSA (Ų)
0.68
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 C16H14N2OS
MW 282.37
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
25461316 10.1016/j.ejmech.2014.11.018 ADMET 5
25461316 10.1016/j.ejmech.2014.11.018 Trypanosoma cruzi 2
25461316 10.1016/j.ejmech.2014.11.018 Leishmania amazonensis 1

Data from ChEMBL 36 via Core Engine