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Compound Detail

CHEMBL5437701

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CC(C)C[C@H](NC(=O)[C@@H]1CCCN/C(N)=N/C(=O)NCCCCNC(=O)[C@@H](N)CC(=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 CHEMBL5437701
Phase Preclinical
Structure Type MOL
InChI Key JPOOIPCJAFXCKZ-HNBLRUEUSA-N
Parent Compound CHEMBL5500075
Active Moiety CHEMBL5500075
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 9.0
Ki 2 meas. best 10.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 10.61 10.6 0.0 2
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 9.0 8.64 1.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 0.02455 nM 10.61 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 Ki = 0.026 nM 10.59 Displacement of [3H]UR-KK200 from human Y4R expressed in CHO cells co-expressing... 37773891
Neuropeptide Y receptor type 4 EC50 = 1.0 nM 9.0 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 1.1 nM 8.96 Agonist activity at human Y4R expressed in HEK293T cells by miniGsi assay 37773891
Neuropeptide Y receptor type 4 EC50 = 5.012 nM 8.3 Agonist activity at human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ by... 37773891
Neuropeptide Y receptor type 4 EC50 = 5.0 nM 8.3 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