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Compound Detail

CHEMBL5423253

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CCC(=O)NCCCC(=O)N[C@@H]1CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CCCN/C(N)=N/C(=O)NCCCCNC1=O.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 CHEMBL5423253
Phase Preclinical
Structure Type MOL
InChI Key NOTNURPEFWOZFT-JBEIIWGISA-N
Parent Compound CHEMBL5498819
Active Moiety CHEMBL5498819
1
Targets
12
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

1277.5
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C64H95F9N20O19
MW 1619.57

Activity Summary

EC50 6 meas. best 9.9
Ki 6 meas. best 11.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 11.0 10.416 0.0 5
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 9.9 8.8017 0.1 6

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 0.01 nM 11.0 Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... 37773891
Neuropeptide Y receptor type 4 Ki = 0.03162 nM 10.5 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 Ki = 0.036 nM 10.44 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 Ki = 0.08318 nM 10.08 Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... 37773891
Neuropeptide Y receptor type 4 Ki = 0.088 nM 10.06 Displacement of [3H]-(9S,12S,15S,19R,E)-4-amino-N-((S)-1-(((S)-1-(((S)-1-amino-3... 37773891
Neuropeptide Y receptor type 4 EC50 = 0.1259 nM 9.9 Agonist activity at human Y4R expressed in HEK293T cells incubated for 60 mins b... 37773891
Neuropeptide Y receptor type 4 EC50 = 0.17 nM 9.77 Agonist activity at human Y4R expressed in HEK293T cells incubated for 60 mins b... 37773891
Neuropeptide Y receptor type 4 EC50 = 5.129 nM 8.29 Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... 37773891
Neuropeptide Y receptor type 4 EC50 = 5.129 nM 8.29 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 5.1 nM 8.29 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 5.4 nM 8.27 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 15
37773891 10.1021/acs.jmedchem.3c01224 Unchecked 3
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
37773891 10.1021/acs.jmedchem.3c01224 No relevant target 1

Data from ChEMBL 36 via Core Engine