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Compound Detail

CHEMBL4176188

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Cc1cc(-c2cccs2)nc2sc(C(=O)Nc3ccncc3)c(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176188
Phase Preclinical
Structure Type MOL
InChI Key VNDJCNURPYVJBR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

366.5
MW (Da)
4.56
ALogP
6
HBA
2
HBD
80.9
PSA (Ų)
0.56
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 C18H14N4OS2
MW 366.47
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.41

Literature References

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

Data from ChEMBL 36 via Core Engine