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Compound Detail

CHEMBL3577320

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NCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3577320
Phase Preclinical
Structure Type MOL
InChI Key XLDXTROHOWXTIJ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

249.7
MW (Da)
1.42
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.75
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 C11H12ClN5
MW 249.71
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

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