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Compound Detail

CHEMBL184437

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Nc1ccc2cccc(O[C@H]3CCN(C(=O)c4ccc5c(c4)OCO5)C3)c2n1

Basic Information

ChEMBL ID CHEMBL184437
Phase Preclinical
Structure Type MOL
InChI Key MTMCNRBAEVKVEQ-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.84
ALogP
6
HBA
1
HBD
86.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4
MW 377.40
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -0.71

Activity Summary

IC50 2 meas. best 6.14

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 6.14 5.59 730.0 2

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