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Compound Detail

CHEMBL39010

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CCCCC1(c2ccccc2)NC(=O)NC1=O

Basic Information

ChEMBL ID CHEMBL39010
Phase Preclinical
Structure Type MOL
InChI Key XNBWIJWUENNNSW-UHFFFAOYSA-N
0
Targets
6
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.91
ALogP
2
HBA
2
HBD
58.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H16N2O2
MW 232.28
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.22

Activity Summary

IC50 6 meas.

Literature References

PubMed DOI Target Context # Activities
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2
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
9046351 10.1021/jm960692v Sodium channel alpha subunits; brain (Types I, II, III) 1
7932556 10.1021/jm00046a013 No relevant target 1
7932556 10.1021/jm00046a013 Sodium channel alpha subunits; brain (Types I, II, III) 1
15588087 10.1021/jm040077o Unchecked 1
19346132 10.1016/j.bmc.2008.10.031 No relevant target 1

Data from ChEMBL 36 via Core Engine