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Compound Detail

CHEMBL332479

TETRAHYDROPIPERINE
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O=C(CCCCc1ccc2c(c1)OCO2)N1CCCCC1

Basic Information

ChEMBL ID CHEMBL332479
Name TETRAHYDROPIPERINE
Phase Preclinical
Structure Type MOL
InChI Key APZYKUZPJCQGPP-UHFFFAOYSA-N

Known Names

5-(3,4-Methylenedioxyphenyl) Pentanoicacid Piperidine Amide
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
9
Publications
1
Known Names

Molecular Properties

289.4
MW (Da)
3.14
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H23NO3
MW 289.38
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.40

Activity Summary

IC50 4 meas. best 5.71
EC50 1 meas. best 5.2

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Amine oxidase [flavin-containing] B
CHEMBL2993
IC50 5.71 5.71 1970.0 1
Transient receptor potential cation channel subfamily V member 1
CHEMBL4794
EC50 5.2 5.2 6309.6 1
Trypanosoma cruzi
CHEMBL368
IC50 4.94 4.79 11520.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19523722 10.1016/j.ejmech.2009.05.004 Quinolone resistance protein NorA 5
20381363 10.1016/j.bmc.2010.03.013 Transient receptor potential cation channel subfamily V member 1 3
15177472 10.1016/j.bmcl.2004.04.019 Trypanosoma cruzi 2
18848780 10.1016/j.bmc.2008.09.042 Quinolone resistance protein NorA 2
20185316 10.1016/j.bmc.2010.01.068 Trypanosoma cruzi 1
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] A 1
22475561 10.1016/j.bmcl.2012.02.090 Amine oxidase [flavin-containing] B 1
- 10.1007/s00044-008-9161-9 Trypanosoma cruzi 1
38665828 10.1039/d3md00455d Glutamate NMDA receptor; GRIN1/GRIN2B 1

Data from ChEMBL 36 via Core Engine