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Compound Detail

CHEMBL247566

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CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1

Basic Information

ChEMBL ID CHEMBL247566
Phase Preclinical
Structure Type MOL
InChI Key GSYASMWTMWAJJZ-KQWNVCNZSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.5
MW (Da)
4.64
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.47
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 C25H23N3O3
MW 413.48
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.09

Activity Summary

Ki 1 meas. best 6.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
Ki 6.47 6.47 341.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17448659 10.1016/j.bmcl.2007.04.012 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine