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Compound Detail

CHEMBL4100842

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CCCCCCCn1nc2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100842
Phase Preclinical
Structure Type MOL
InChI Key PMLFXERZZZPZTB-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
3.40
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H19N3
MW 217.32
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.83

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27750152 10.1016/j.ejmech.2016.10.005 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine