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

CHEMBL3338677

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
CCCCCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3338677
Phase Preclinical
Structure Type MOL
InChI Key DYIMTVFKTDCCMM-XNNVEVGKSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

1721.2
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C88H137N17O18
MW 1721.17

Activity Summary

EC50 2 meas. best 7.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Apelin receptor
CHEMBL1628481
 EC50 7.47 6.9 33.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Apelin receptor EC50 = 33.7 nM 7.47 Agonist activity at APJ receptor in HEK293 cells assessed as inhibition of forsk... 25241924
Apelin receptor EC50 = 470.0 nM 6.33 Agonist activity at human APJ receptor expressed in Chem-5 cells assessed as cal... 25241924

Literature References

PubMed DOI Target Context # Activities
25241924 10.1016/j.bmcl.2014.08.045 Apelin receptor 3
25241924 10.1016/j.bmcl.2014.08.045 5-hydroxytryptamine receptor 1A 2
25241924 10.1016/j.bmcl.2014.08.045 5-hydroxytryptamine receptor 2A 2
25241924 10.1016/j.bmcl.2014.08.045 5-hydroxytryptamine receptor 2B 2
25241924 10.1016/j.bmcl.2014.08.045 Cannabinoid receptor 1 2
25241924 10.1016/j.bmcl.2014.08.045 Alpha-1A adrenergic receptor 2
25241924 10.1016/j.bmcl.2014.08.045 Alpha-2A adrenergic receptor 2
25241924 10.1016/j.bmcl.2014.08.045 D(1A) dopamine receptor 2
25241924 10.1016/j.bmcl.2014.08.045 Muscarinic acetylcholine receptor M2 2
25241924 10.1016/j.bmcl.2014.08.045 Thromboxane A2 receptor 2
25241924 10.1016/j.bmcl.2014.08.045 D(4) dopamine receptor 1
25241924 10.1016/j.bmcl.2014.08.045 Sphingosine 1-phosphate receptor Edg-5/Sphingosine 1-phosphate receptor Edg-3 1
25241924 10.1016/j.bmcl.2014.08.045 Beta-2 adrenergic receptor 1

Data from ChEMBL 36 via Core Engine