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Compound Detail

CHEMBL184417

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Nc1ccc2cccc(OCCCNC(=O)Nc3cccc(Cl)c3)c2n1

Basic Information

ChEMBL ID CHEMBL184417
Phase Preclinical
Structure Type MOL
InChI Key OYPLJTKBROYZGQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

370.8
MW (Da)
4.06
ALogP
4
HBA
3
HBD
89.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19ClN4O2
MW 370.84
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.44

Activity Summary

IC50 2 meas. best 9.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
IC50 9.05 8.575 0.9 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15341943 10.1016/j.bmcl.2004.07.034 Melanin-concentrating hormone receptor 1 2

Data from ChEMBL 36 via Core Engine