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Compound Detail

CHEMBL183032

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COc1cccc(CNCC(C)Oc2cccc3ccc(N)nc23)c1

Basic Information

ChEMBL ID CHEMBL183032
Phase Preclinical
Structure Type MOL
InChI Key JHYPBALOYBGABT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

337.4
MW (Da)
3.38
ALogP
5
HBA
2
HBD
69.4
PSA (Ų)
0.69
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 C20H23N3O2
MW 337.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.73

Activity Summary

IC50 2 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 9.0 7.61 1.0 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