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Compound Detail

CHEMBL184243

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COc1cccc(C(=O)NCCCOc2cccc3ccc(N)nc23)c1

Basic Information

ChEMBL ID CHEMBL184243
Phase Preclinical
Structure Type MOL
InChI Key OJZKGRACKVPNSG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.02
ALogP
5
HBA
2
HBD
86.5
PSA (Ų)
0.64
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N3O3
MW 351.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.87

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 8.7 8.11 2.0 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
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine