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Compound Detail

CHEMBL211664

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N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCc1ccccc1

Basic Information

ChEMBL ID CHEMBL211664
Phase Preclinical
Structure Type MOL
InChI Key IMPHOLNVUFEBJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

347.8
MW (Da)
0.97
ALogP
5
HBA
4
HBD
145.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18ClN7O
MW 347.81
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amiloride-sensitive sodium channel subunit alpha
CHEMBL1791
IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16821771 10.1021/jm051134w Epithelial cell 1
16821771 10.1021/jm051134w Amiloride-sensitive sodium channel subunit alpha 1

Data from ChEMBL 36 via Core Engine