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Compound Detail

CHEMBL1642470

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CN1CCC(Oc2ccc(-n3ccc(OCc4ccccc4)cc3=O)cc2)C1

Basic Information

ChEMBL ID CHEMBL1642470
Phase Preclinical
Structure Type MOL
InChI Key UULNBRJDGOKKRC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

376.5
MW (Da)
3.50
ALogP
5
HBA
0
HBD
43.7
PSA (Ų)
0.66
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 C23H24N2O3
MW 376.46
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21190859 10.1016/j.bmc.2010.12.002 Melanin-concentrating hormone receptor 1 2
21190859 10.1016/j.bmc.2010.12.002 Voltage-gated inwardly rectifying potassium channel KCNH2 1

Data from ChEMBL 36 via Core Engine