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Compound Detail

CHEMBL1432943

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CCCCC1CCC(C(=O)NCC(c2ccco2)N2CCOCC2)CC1

Basic Information

ChEMBL ID CHEMBL1432943
Phase Preclinical
Structure Type MOL
InChI Key ZSCALGXDTJTEFH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

362.5
MW (Da)
3.77
ALogP
4
HBA
1
HBD
54.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34N2O3
MW 362.51
Aromatic Rings 1
Heavy Atoms 26
NP-Likeness -1.62

Activity Summary

EC50 1 meas. best 6.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Potassium voltage-gated channel subfamily KQT member 2
CHEMBL5530
EC50 6.04 6.04 920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine