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Compound Detail

CHEMBL593347

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CCCCCCCC1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL593347
Phase Preclinical
Structure Type MOL
InChI Key XKIXGWZHMAQQHW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

430.6
MW (Da)
3.98
ALogP
4
HBA
3
HBD
90.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H38N4O3
MW 430.59
Aromatic Rings 1
Heavy Atoms 31
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 4.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.87 4.87 13489.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 13489.63 nM 4.87 Displacement of [3H]-BTX-B from neuronal voltage-gated sodium channel in rat cer... 19346132

Literature References

PubMed DOI Target Context # Activities
19346132 10.1016/j.bmc.2008.10.031 Unchecked 2

Data from ChEMBL 36 via Core Engine