Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL214075

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
COc1ccc(CN2CCC(NC(=O)c3cc(=O)c4ccc(F)cc4o3)CC2)cc1OC

Basic Information

ChEMBL ID CHEMBL214075
Phase Preclinical
Structure Type MOL
InChI Key SNBNOMAXISJOPC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

440.5
MW (Da)
3.34
ALogP
6
HBA
1
HBD
81.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H25FN2O5
MW 440.47
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.10

Activity Summary

IC50 1 meas. best 6.37

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.37 6.37 427.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanin-concentrating hormone receptor 1 IC50 = 427.0 nM 6.37 Displacement of [125I]MCH from MCHr1 expressed in IMR32 cells 17064075

Literature References

PubMed DOI Target Context # Activities
17064075 10.1021/jm060683e Melanin-concentrating hormone receptor 1 2
17064075 10.1021/jm060683e Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine