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

CHEMBL4639709

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

Basic Information

ChEMBL ID CHEMBL4639709
Phase Preclinical
Structure Type MOL
InChI Key SADYRRFJQXPSEH-TUFLPTIASA-N
1
Targets
10
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

605.8
MW (Da)
-2.23
ALogP
8
HBA
12
HBD
300.4
PSA (Ų)
0.05
QED
2
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H47N11O5
MW 605.75
Aromatic Rings 1
Heavy Atoms 43
NP-Likeness 0.29

Activity Summary

EC50 7 meas. best 6.78
Ki 3 meas. best 8.47

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 8.47 8.47 3.4 3
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 6.78 6.5929 166.0 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 3.388 nM 8.47 Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-ex... 32614182
Neuropeptide Y receptor type 4 Ki = 3.4 nM 8.47 Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO cells co-ex... 32614182
Neuropeptide Y receptor type 4 Ki = 3.4 nM 8.47 Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO-Gqi5-mtAQE ... 37440703
Neuropeptide Y receptor type 4 EC50 = 165.96 nM 6.78 Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 ass... 32614182
Neuropeptide Y receptor type 4 EC50 = 170.0 nM 6.77 Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB2 ass... 32614182
Neuropeptide Y receptor type 4 EC50 = 170.0 nM 6.77 Agonist potency at human Y4 receptor expressed in HEK293T-NlucN-mGSi/Y4R-NlucC c... 37440703
Neuropeptide Y receptor type 4 EC50 = 275.42 nM 6.56 Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 ass... 32614182
Neuropeptide Y receptor type 4 EC50 = 280.0 nM 6.55 Agonist activity at human Y4R expressed in HEK293T cells co-expressing ARRB1 ass... 32614182
Neuropeptide Y receptor type 4 EC50 = 436.52 nM 6.36 Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-... 32614182
Neuropeptide Y receptor type 4 EC50 = 440.0 nM 6.36 Agonist activity at human Y4 receptor expressed in CHO cells co-expressing Gqi5-... 32614182

Literature References

PubMed DOI Target Context # Activities
32614182 10.1021/acs.jmedchem.0c00426 Neuropeptide Y receptor type 4 8
32614182 10.1021/acs.jmedchem.0c00426 Unchecked 3
37440703 10.1021/acs.jmedchem.3c00363 Neuropeptide Y receptor type 4 3
32614182 10.1021/acs.jmedchem.0c00426 Neuropeptide Y receptor type 1 2
32614182 10.1021/acs.jmedchem.0c00426 Neuropeptide Y receptor type 2 2
32614182 10.1021/acs.jmedchem.0c00426 Neuropeptide Y receptor type 5 2
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 4 2

Data from ChEMBL 36 via Core Engine