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Compound Detail

CHEMBL4176445

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Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3cccs3)ccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176445
Phase Preclinical
Structure Type MOL
InChI Key JMTAJKARRVVNFW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

379.5
MW (Da)
4.58
ALogP
5
HBA
2
HBD
68.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17N3OS2
MW 379.51
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.96

Literature References

PubMed DOI Target Context # Activities
29733999 10.1016/j.ejmech.2018.04.028 Hepatocyte 1

Data from ChEMBL 36 via Core Engine