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Compound Detail

CHEMBL39377

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O=C1NC(=O)C2(CCCCc3ccccc32)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL39377
Phase Preclinical
Structure Type MOL
InChI Key BCSYSQVTCKMBMK-UHFFFAOYSA-N
0
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

230.3
MW (Da)
1.45
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N2O2
MW 230.27
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.19

Activity Summary

IC50 4 meas.

Literature References

PubMed DOI Target Context # Activities
9046351 10.1021/jm960692v Sodium channel alpha subunits; brain (Types I, II, III) 6
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
3121857 10.1021/jm00396a037 Aldo-keto reductase family 1 member B1 1
3121857 10.1021/jm00396a037 Rattus norvegicus 1
10229624 10.1021/jm980556l No relevant target 1
10229624 10.1021/jm980556l Sodium channel alpha subunits; brain (Types I, II, III) 1
9046351 10.1021/jm960692v No relevant target 1
19346132 10.1016/j.bmc.2008.10.031 No relevant target 1
24332655 10.1016/j.bmc.2013.11.049 Unchecked 1

Data from ChEMBL 36 via Core Engine