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Compound Detail

CHEMBL244373

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CC(C)C(=O)Nc1cccc(C2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1

Basic Information

ChEMBL ID CHEMBL244373
Phase Preclinical
Structure Type MOL
InChI Key SYTDFMKLDHALDH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

428.6
MW (Da)
6.45
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.47
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 C28H32N2O2
MW 428.58
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.15

Activity Summary

Ki 1 meas. best 7.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL1075228
Ki 7.55 7.55 28.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17668922 10.1021/jm060383x Melanin-concentrating hormone receptor 1 2
17668922 10.1021/jm060383x D(2) dopamine receptor 1

Data from ChEMBL 36 via Core Engine