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Compound Detail

CHEMBL3577318

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CC(C)c1nc(N)nc(N)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577318
Phase Preclinical
Structure Type MOL
InChI Key KGYSRPLLVJNNKG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

262.7
MW (Da)
3.08
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.87
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 C13H15ClN4
MW 262.74
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.68

Literature References

PubMed DOI Target Context # Activities
25984755 10.1021/jm5017895 Beta-N-acetyl-D-hexosaminidase-A/B 1

Data from ChEMBL 36 via Core Engine