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

CHEMBL3287324

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](CCCNC(=N)N)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2CC1C(=O)N[C@H](Cc1ccc([N+](=O)[O-])cc1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3287324
Phase Preclinical
Structure Type MOL
InChI Key LVZVUZUDRDMDPR-LVCGBWMPSA-N
5
Targets
10
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

839.7
MW (Da)
1.16
ALogP
8
HBA
7
HBD
255.7
PSA (Ų)
0.03
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C36H42IN9O7
MW 839.69
Aromatic Rings 3
Heavy Atoms 53
NP-Likeness -0.54

Activity Summary

EC50 10 meas. best 9.59

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melanocortin receptor 4
CHEMBL259
 EC50 9.59 8.005 0.3 6
Melanocortin receptor 5
CHEMBL4489
 EC50 8.96 8.96 1.1 1
Melanocortin receptor 4
CHEMBL3719
 EC50 8.57 8.57 2.7 1
Melanocyte-stimulating hormone receptor
CHEMBL4077
 EC50 8.57 8.57 2.7 1
Melanocortin receptor 3
CHEMBL4774
 EC50 7.33 7.33 47.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melanocortin receptor 4 EC50 = 0.26 nM 9.59 Agonist activity at wild type human melanocortin-4 receptor expressed in HEK293 ... 24517312
Melanocortin receptor 5 EC50 = 1.1 nM 8.96 Agonist activity at mouse melanocortin-5 receptor expressed in HEK293 cells co-t... 24517312
Melanocortin receptor 4 EC50 = 2.6 nM 8.59 Agonist activity at human melanocortin-4 receptor L106P mutant expressed in HEK2... 24517312
Melanocyte-stimulating hormone receptor EC50 = 2.7 nM 8.57 Agonist activity at mouse melanocortin-1 receptor expressed in HEK293 cells co-t... 24517312
Melanocortin receptor 4 EC50 = 2.7 nM 8.57 Agonist activity at mouse melanocortin-4 receptor expressed in HEK293 cells co-t... 24517312
Melanocortin receptor 4 EC50 = 2.9 nM 8.54 Agonist activity at human melanocortin-4 receptor I102S mutant expressed in HEK2... 24517312
Melanocortin receptor 4 EC50 = 4.1 nM 8.39 Agonist activity at human melanocortin-4 receptor I69T mutant expressed in HEK29... 24517312
Melanocortin receptor 4 EC50 = 6.1 nM 8.21 Agonist activity at human melanocortin-4 receptor A219V mutant expressed in HEK2... 24517312
Melanocortin receptor 3 EC50 = 47.0 nM 7.33 Agonist activity at mouse melanocortin-3 receptor expressed in HEK293 cells co-t... 24517312
Melanocortin receptor 4 EC50 = 19650.0 nM 4.71 Agonist activity at human melanocortin-4 receptor C271Y mutant expressed in HEK2... 24517312

Literature References

PubMed DOI Target Context # Activities
24517312 10.1021/jm500064t Melanocortin receptor 4 8
24517312 10.1021/jm500064t Melanocyte-stimulating hormone receptor 1
24517312 10.1021/jm500064t Melanocortin receptor 3 1
24517312 10.1021/jm500064t Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine