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

CHEMBL5422869

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(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)C[C@@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5422869
Phase Preclinical
Structure Type MOL
InChI Key MYUITEJWJZHTBH-DIBFXYFISA-N
Parent Compound CHEMBL5499514
Active Moiety CHEMBL5499514
1
Targets
6
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1136.3
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C59H85F12N19O19
MW 1592.42

Activity Summary

EC50 4 meas. best 9.05
Ki 2 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 10.52 10.515 0.0 2
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 9.05 8.5075 0.9 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 0.0302 nM 10.52 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 Ki = 0.031 nM 10.51 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 EC50 = 0.8913 nM 9.05 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 0.89 nM 9.05 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 10.72 nM 7.97 Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... 37773891
Neuropeptide Y receptor type 4 EC50 = 11.0 nM 7.96 Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... 37773891

Literature References

PubMed DOI Target Context # Activities
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 4 8
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 1 2
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 2 2
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 5 2

Data from ChEMBL 36 via Core Engine