Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL364377

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Nc1ccc2cccc(OCC3CCCCC3)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364377
Phase Preclinical
Structure Type MOL
InChI Key OTJOSBTUERTNPP-UHFFFAOYSA-N
1
Targets
6
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.4
MW (Da)
3.78
ALogP
3
HBA
1
HBD
48.1
PSA (Ų)
0.91
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 C16H20N2O
MW 256.35
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.42

Activity Summary

IC50 6 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
 IC50 7.05 6.415 90.0 6

Pharmacokinetic Data

Parameter Value Units Species
AUC - ng.hr.mL-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanin-concentrating hormone receptor 1 IC50 = 90.0 nM 7.05 Concentration required to inhibit binding of [125I]-MCH radioligand to human Mel... 15341943
Melanin-concentrating hormone receptor 1 IC50 = 90.0 nM 7.05 Concentration required to inhibit binding of [125I]MCH radioligand to human mela... 15341942
Melanin-concentrating hormone receptor 1 IC50 = 90.0 nM 7.05 Concentration required to inhibit binding of [125I]MCH radioligand to human Mela... 15341944
Melanin-concentrating hormone receptor 1 IC50 = 1680.0 nM 5.78 Concentration required to inhibit 50% of melanin-concentrating hormone induced [... 15341943
Melanin-concentrating hormone receptor 1 IC50 = 1680.0 nM 5.78 Concentration required to inhibit 50% of melanin-concentrating hormone induced [... 15341942
Melanin-concentrating hormone receptor 1 IC50 = 1680.0 nM 5.78 Concentration required to inhibit 50% of melanin-concentrating hormone induced [... 15341944

Literature References

PubMed DOI Target Context # Activities
15341943 10.1016/j.bmcl.2004.07.034 Melanin-concentrating hormone receptor 1 2
15341942 10.1016/j.bmcl.2004.07.032 Melanin-concentrating hormone receptor 1 2
15341944 10.1016/j.bmcl.2004.07.035 Melanin-concentrating hormone receptor 1 2
15341944 10.1016/j.bmcl.2004.07.035 ADMET 2

Data from ChEMBL 36 via Core Engine