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Compound Detail

CHEMBL5395013

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[3H]CC([3H])C(=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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395013
Phase Preclinical
Structure Type MOL
InChI Key UMZWAAPQAZOKBF-YDOLFNLGSA-N
Parent Compound CHEMBL5498819
Active Moiety CHEMBL5498819
1
Targets
9
Activities
1
Assay Types
0
PK Parameters
2
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 C58H92N20O13
MW 1281.52

Activity Summary

Kd 9 meas. best 10.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Kd 10.92 10.2138 0.0 8

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Kd = 0.01202 nM 10.92 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ un... 37773891
Neuropeptide Y receptor type 4 Kd = 0.012 nM 10.92 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ un... 37773891
Neuropeptide Y receptor type 4 Kd = 0.014 nM 10.85 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ as... 37773891
Neuropeptide Y receptor type 4 Kd = 0.09 nM 10.05 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ as... 37773891
Neuropeptide Y receptor type 4 Kd = 0.1047 nM 9.98 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ un... 37773891
Neuropeptide Y receptor type 4 Kd = 0.11 nM 9.96 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ un... 37773891
Neuropeptide Y receptor type 4 Kd = 0.11 nM 9.96 Binding affinity to human Y4R under 137 mM sodium condition 37773891
Neuropeptide Y receptor type 4 Kd = 0.86 nM 9.07 Binding affinity to human Y4R expressed in CHO cells co-expressing Gqi5-mtAEQ at... 37773891

Literature References

PubMed DOI Target Context # Activities
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 4 18
37773891 10.1021/acs.jmedchem.3c01224 Unchecked 3

Data from ChEMBL 36 via Core Engine