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Compound Detail

CHEMBL184277

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CC(C)Cc1ccc(N2CCC(Oc3cccc4ccc(NCC5CC5)nc34)C2)cc1

Basic Information

ChEMBL ID CHEMBL184277
Phase Preclinical
Structure Type MOL
InChI Key QWVRCFBWSKTFJF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.6
MW (Da)
5.91
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33N3O
MW 415.58
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -0.96

Activity Summary

IC50 1 meas. best 6.83

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.83 6.83 149.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341944 10.1016/j.bmcl.2004.07.035 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine