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Compound Detail

CHEMBL4165962

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NC(=S)Nc1cc(-c2ccccc2)ccn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165962
Phase Preclinical
Structure Type MOL
InChI Key MYRUQAWHXQGXFU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

229.3
MW (Da)
2.40
ALogP
2
HBA
2
HBD
50.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11N3S
MW 229.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.18

Literature References

PubMed DOI Target Context # Activities
29432948 10.1016/j.ejmech.2018.01.049 PBMC 5

Data from ChEMBL 36 via Core Engine