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Compound Detail

CHEMBL203917

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C/C(=C\c1ccccc1)C(=O)Nc1ccc2nc(N(C)CCN(C)C)cc(C)c2c1

Basic Information

ChEMBL ID CHEMBL203917
Phase Preclinical
Structure Type MOL
InChI Key FATILOSFLIMSIT-XDJHFCHBSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
4.58
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.59
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 C25H30N4O
MW 402.54
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.02

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 5.02 5.02 9460.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanin-concentrating hormone receptor 1 IC50 = 9460.0 nM 5.02 Inhibition of human MCH1 receptor by SPA assay 16289819

Literature References

PubMed DOI Target Context # Activities
16289819 10.1016/j.bmcl.2005.10.066 Melanin-concentrating hormone receptor 1 1

Data from ChEMBL 36 via Core Engine