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Compound Detail

CHEMBL184446

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CNc1ccc2cccc(OC(C)CC(C)(C)C)c2n1

Basic Information

ChEMBL ID CHEMBL184446
Phase Preclinical
Structure Type MOL
InChI Key PXTDASDBFFAWDT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.4
MW (Da)
4.48
ALogP
3
HBA
1
HBD
34.1
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H24N2O
MW 272.39
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 6.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.51 5.86 310.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341942 10.1016/j.bmcl.2004.07.032 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine