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Compound Detail

CHEMBL184520

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CC(CC(C)(C)C)Oc1cccc2ccc(NCc3ccc(-c4ccccc4Cl)o3)nc12

Basic Information

ChEMBL ID CHEMBL184520
Phase Preclinical
Structure Type MOL
InChI Key MNBOFLCSNXJHFJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

449.0
MW (Da)
7.96
ALogP
4
HBA
1
HBD
47.3
PSA (Ų)
0.31
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 C27H29ClN2O2
MW 448.99
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.24

Activity Summary

IC50 2 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 7.22 6.75 60.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341942 10.1016/j.bmcl.2004.07.032 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine