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Compound Detail

CHEMBL3113243

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CNc1nc(-c2cccc(NC(=O)c3cc4ccccc4[nH]3)c2)cn1C(=O)OC(C)(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3113243
Phase Preclinical
Structure Type MOL
InChI Key DUNUNNPYKPJKDZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

431.5
MW (Da)
5.11
ALogP
6
HBA
3
HBD
101.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25N5O3
MW 431.50
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.30

Literature References

PubMed DOI Target Context # Activities
24440379 10.1016/j.ejmech.2013.12.034 Sodium channel protein type 9 subunit alpha 2
24440379 10.1016/j.ejmech.2013.12.034 Sodium channel protein type 5 subunit alpha 2
24440379 10.1016/j.ejmech.2013.12.034 Sodium channel protein type 4 subunit alpha 2
24440379 10.1016/j.ejmech.2013.12.034 Sodium channel protein type 3 subunit alpha 2
- 10.1039/C4MD00286E HepG2 1

Data from ChEMBL 36 via Core Engine