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Compound Detail

CHEMBL364936

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O=C(Nc1ccc2cnn(CCN3CCCC3)c2c1)NC1CCN(Cc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL364936
Phase Preclinical
Structure Type MOL
InChI Key RJVGRCGIEZTCEH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.92
ALogP
5
HBA
2
HBD
65.4
PSA (Ų)
0.58
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 C26H34N6O
MW 446.60
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -2.00

Activity Summary

IC50 1 meas. best 5.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL4730
IC50 5.35 5.35 4509.0 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