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Compound Detail

CHEMBL4873376

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CC(C)C[C@H](NC(=O)[C@@H]1CCCNC(=N)NC(=O)NCCCCNC(=O)CCC(=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
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4873376
Phase Preclinical
Structure Type MOL
InChI Key HRFROEUEVCIDOO-BGBFCPIGSA-N
1
Targets
15
Activities
2
Assay Types
1
PK Parameters
8
Publications
0
Known Names

Molecular Properties

1121.3
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C51H80N18O11
MW 1121.32

Activity Summary

EC50 8 meas. best 9.79
Ki 7 meas. best 10.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 10.96 10.3683 0.0 6
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 9.79 8.94 0.2 7

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.9 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 0.011 nM 10.96 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 = 0.04365 nM 10.36 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 Ki = 0.048 nM 10.32 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 Ki = 0.048 nM 10.32 Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO-Gqi5-mtAQE ... 37440703
Neuropeptide Y receptor type 4 Ki = 0.07413 nM 10.13 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 = 0.076 nM 10.12 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 = 0.1622 nM 9.79 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 = 1.585 nM 8.8 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 1.7 nM 8.77 Agonist potency at human Y4 receptor expressed in HEK293T-NlucN-mGSi/Y4R-NlucC c... 37440703
Neuropeptide Y receptor type 4 EC50 = 2.692 nM 8.57 Agonist activity at human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cell... 34748345
Neuropeptide Y receptor type 4 EC50 = 3.631 nM 8.44 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 3.6 nM 8.44 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345

Literature References

PubMed DOI Target Context # Activities
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 4 12
34748345 10.1021/acs.jmedchem.1c01574 ADMET 8
37773891 10.1021/acs.jmedchem.3c01224 Neuropeptide Y receptor type 4 8
34748345 10.1021/acs.jmedchem.1c01574 Unchecked 3
37440703 10.1021/acs.jmedchem.3c00363 Neuropeptide Y receptor type 4 3
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 1 2
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 2 2
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 5 2

Data from ChEMBL 36 via Core Engine