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Compound Detail

CHEMBL3577319

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CCCCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577319
Phase Preclinical
Structure Type MOL
InChI Key WHBAFINJAVCVTB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.8
MW (Da)
3.30
ALogP
4
HBA
2
HBD
77.8
PSA (Ų)
0.90
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H17ClN4
MW 276.77
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.66

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