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Compound Detail

CHEMBL5437695

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CCC(=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 CHEMBL5437695
Phase Preclinical
Structure Type MOL
InChI Key UDAUUIJOQIYHBS-JFCYTAHASA-N
Parent Compound CHEMBL5500074
Active Moiety CHEMBL5500074
1
Targets
8
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

1192.4
MW (Da)

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C60H88F9N19O18
MW 1534.46

Activity Summary

EC50 6 meas. best 10.3
Ki 2 meas. best 10.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 10.3 9.0567 0.1 6
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 10.18 10.18 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 EC50 = 0.05012 nM 10.3 Agonist activity at human Y4R expressed in HEK293T cells incubated for 60 mins b... 37773891
Neuropeptide Y receptor type 4 EC50 = 0.063 nM 10.2 Agonist activity at human Y4R expressed in HEK293T cells incubated for 60 mins b... 37773891
Neuropeptide Y receptor type 4 Ki = 0.06607 nM 10.18 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 Ki = 0.066 nM 10.18 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 EC50 = 1.6 nM 8.8 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 1.622 nM 8.79 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 6.31 nM 8.2 Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... 37773891
Neuropeptide Y receptor type 4 EC50 = 9.0 nM 8.05 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 11
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