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Compound Detail

CHEMBL184477

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CC(CN1CCCCC1)Oc1cccc2ccc(N)nc12

Basic Information

ChEMBL ID CHEMBL184477
Phase Preclinical
Structure Type MOL
InChI Key WYYWXZPXRXAVEA-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

285.4
MW (Da)
3.07
ALogP
4
HBA
1
HBD
51.4
PSA (Ų)
0.94
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 C17H23N3O
MW 285.39
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.68

Activity Summary

IC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.4 6.97 40.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341943 10.1016/j.bmcl.2004.07.034 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine