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Compound Detail

CHEMBL4856311

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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](Cc2c[nH]c3ccccc23)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 CHEMBL4856311
Phase Preclinical
Structure Type MOL
InChI Key YXWAKKCWEACOQW-SKGSPYGFSA-N
1
Targets
9
Activities
2
Assay Types
1
PK Parameters
7
Publications
0
Known Names

Molecular Properties

1144.3
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C53H81N19O10
MW 1144.35

Activity Summary

EC50 6 meas. best 9.0
Ki 3 meas. best 10.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 10.48 10.48 0.0 3
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 9.0 8.9383 1.0 6

Pharmacokinetic Data

Parameter Value Units Species
T1/2 2.6 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 = 0.03311 nM 10.48 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 Ki = 0.033 nM 10.48 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 Ki = 0.033 nM 10.48 Displacement of [3H]UR-KK200 from human Y4 receptor expressed in CHO-Gqi5-mtAQE ... 37440703
Neuropeptide Y receptor type 4 EC50 = 1.0 nM 9.0 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 1.0 nM 9.0 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 1.0 nM 9.0 Agonist activity at human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cell... 34748345
Neuropeptide Y receptor type 4 EC50 = 1.0 nM 9.0 Agonist potency at human Y4 receptor expressed in HEK293T-NlucN-mGSi/Y4R-NlucC c... 37440703
Neuropeptide Y receptor type 4 EC50 = 1.413 nM 8.85 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T cells ... 34748345
Neuropeptide Y receptor type 4 EC50 = 1.66 nM 8.78 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... 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
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