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Compound Detail

CHEMBL3113253

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Cl.Nc1nc(-c2ccc(NC(=O)c3cc4ccccc4[nH]3)cc2)c[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3113253
Phase Preclinical
Structure Type MOL
InChI Key XVGBCMJPEKAVMH-UHFFFAOYSA-N
Parent Compound CHEMBL3139649
Active Moiety CHEMBL3139649
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

317.4
MW (Da)
3.39
ALogP
3
HBA
4
HBD
99.6
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16ClN5O
MW 353.81
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.03

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
24755428 10.1016/j.bmcl.2014.03.094 Staphylococcus aureus 2
24755428 10.1016/j.bmcl.2014.03.094 Streptococcus mutans 2
24755428 10.1016/j.bmcl.2014.03.094 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine