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

CHEMBL392403

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
O=C1N/C(=C\c2ccc(CN3CCC(O)C3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1

Basic Information

ChEMBL ID CHEMBL392403
Phase Preclinical
Structure Type MOL
InChI Key JTZCFBVAMKVSBV-XYGWBWBKSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
4.14
ALogP
5
HBA
2
HBD
82.1
PSA (Ų)
0.43
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 C27H25N3O4
MW 455.51
Aromatic Rings 3
Heavy Atoms 34
NP-Likeness -1.00

Activity Summary

Ki 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanin-concentrating hormone receptor 1
CHEMBL344
Ki 6.75 6.75 176.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17448659 10.1016/j.bmcl.2007.04.012 Melanin-concentrating hormone receptor 1 1
17448659 10.1016/j.bmcl.2007.04.012 Mus musculus 1

Data from ChEMBL 36 via Core Engine