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Compound Detail

CHEMBL183739

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CC1CCC(Oc2cccc3ccc(N)nc23)C1

Basic Information

ChEMBL ID CHEMBL183739
Phase Preclinical
Structure Type MOL
InChI Key XSBYTVRYECCAPQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.38
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H18N2O
MW 242.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness 0.42

Activity Summary

IC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.08 6.08 823.0 1

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 1

Data from ChEMBL 36 via Core Engine