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Compound Detail

CHEMBL4213278

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CC(C)c1cccc(-c2nc(N)sc2-c2ccc3ncccc3n2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4213278
Phase Preclinical
Structure Type MOL
InChI Key DUIBWEDTNIDLKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.5
MW (Da)
5.13
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.56
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N4S
MW 346.46
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.27

Literature References

PubMed DOI Target Context # Activities
28162900 10.1016/j.bmc.2017.01.036 Unchecked 3

Data from ChEMBL 36 via Core Engine