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Compound Detail

CHEMBL3323445

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c1ccc(C2=NCCCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3323445
Phase Preclinical
Structure Type MOL
InChI Key YPSSKZYWAMIXNE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.82
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2
MW 174.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.33

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25062009 10.1016/j.ejmech.2014.07.063 Glycogen phosphorylase, muscle form 1

Data from ChEMBL 36 via Core Engine