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

CHEMBL3797690

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
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOCCOCCOCCCNC(=O)COCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3797690
Phase Preclinical
Structure Type MOL
InChI Key UBCQDVLHVQEUPW-XRFUAQTBSA-N
5
Targets
9
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

1004.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H69N13O11
MW 1004.16

Activity Summary

EC50 6 meas. best 9.17
IC50 3 meas. best 7.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
 EC50 9.17 8.215 0.7 2
Melanocortin receptor 5
CHEMBL4489
 EC50 8.68 8.68 2.1 1
Melanocortin receptor 4
CHEMBL3719
 EC50 8.24 8.24 5.7 1
Melanocyte-stimulating hormone receptor
CHEMBL4077
 EC50 7.58 7.58 26.2 1
Melanocortin receptor 3
CHEMBL4774
 EC50 7.32 7.32 47.4 1
Melanocortin receptor 4
CHEMBL3719
 IC50 7.08 7.08 83.0 1
Melanocyte-stimulating hormone receptor
CHEMBL4077
 IC50 6.75 6.75 178.0 1
Melanocortin receptor 3
CHEMBL4774
 IC50 4.87 4.87 13400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 EC50 = 0.67 nM 9.17 Agonist activity at human FLAG-tagged MC4R expressed in HEK293 cells assessed as... 29669202
Melanocortin receptor 5 EC50 = 2.1 nM 8.68 Agonist activity at mouse MC5R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocortin receptor 4 EC50 = 5.7 nM 8.24 Agonist activity at mouse MC4R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocyte-stimulating hormone receptor EC50 = 26.2 nM 7.58 Agonist activity at mouse MC1R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocortin receptor 3 EC50 = 47.4 nM 7.32 Agonist activity at mouse MC3R expressed in HEK293 cells assessed as cAMP accumu... 26959173
Melanocortin receptor 4 EC50 = 55.0 nM 7.26 Agonist activity at human FLAG-tagged MC4R expressed in HTLA cells assessed as i... 29669202
Melanocortin receptor 4 IC50 = 83.0 nM 7.08 Displacement of 125I-NDP-MSH from mouse MC4R expressed in HEK293 cells incubated... 26959173
Melanocyte-stimulating hormone receptor IC50 = 178.0 nM 6.75 Displacement of 125I-NDP-MSH from mouse MC1R expressed in HEK293 cells incubated... 26959173
Melanocortin receptor 3 IC50 = 13400.0 nM 4.87 Displacement of 125I-NDP-MSH from mouse MC3R expressed in HEK293 cells incubated... 26959173

Literature References

PubMed DOI Target Context # Activities
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 3 4
26959173 10.1021/acs.jmedchem.5b01894 Melanocyte-stimulating hormone receptor 4
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 4 4
26959173 10.1021/acs.jmedchem.5b01894 Melanocortin receptor 5 2
29669202 10.1021/acs.jmedchem.8b00238 Melanocortin receptor 4 2

Data from ChEMBL 36 via Core Engine