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Compound Detail

CHEMBL386600

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COc1cc(N(C)C(=O)c2ccc(Cc3ccccc3)cc2)ccc1OCCN(C(C)C)C(C)C

Basic Information

ChEMBL ID CHEMBL386600
Phase Preclinical
Structure Type MOL
InChI Key DBNBDGORBGOFLP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
6.06
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H38N2O3
MW 474.65
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.01

Activity Summary

Ki 1 meas. best 7.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
Ki 7.1 7.1 79.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16839761 10.1016/j.bmcl.2006.06.056 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine