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Compound Detail

CHEMBL383798

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O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1cccc2c1cnn2CCN1CCCC1

Basic Information

ChEMBL ID CHEMBL383798
Phase Preclinical
Structure Type MOL
InChI Key MIDCAWMZEJAYFN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
5.57
ALogP
5
HBA
2
HBD
71.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H27N5O2
MW 441.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.81

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL4730
IC50 5.73 5.73 1851.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15911251 10.1016/j.bmcl.2005.03.114 Melanin-concentrating hormone receptor 1 1
15911251 10.1016/j.bmcl.2005.03.114 Melanin-concentrating hormone receptor 1

Data from ChEMBL 36 via Core Engine