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Compound Detail

CHEMBL4858915

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CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=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 CHEMBL4858915
Phase Preclinical
Structure Type MOL
InChI Key RFHHXSZNNSMYFH-PEAOEFARSA-N
2
Targets
8
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

1093.3
MW (Da)

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H76N18O11
MW 1093.26

Activity Summary

EC50 4 meas. best 6.75
Ki 4 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 4
CHEMBL4877
 Ki 8.6 8.6 2.5 2
Neuropeptide Y receptor type 4
CHEMBL4877
 EC50 6.75 6.5 177.8 4
Neuropeptide Y receptor type 1
CHEMBL4777
 Ki 6.34 6.23 457.1 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 4 Ki = 2.512 nM 8.6 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 Ki = 2.5 nM 8.6 Displacement of [3H]UR-KK200 from human neuropeptide Y Y4 receptor expressed in ... 34748345
Neuropeptide Y receptor type 4 EC50 = 177.83 nM 6.75 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB2 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 288.4 nM 6.54 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345
Neuropeptide Y receptor type 4 EC50 = 290.0 nM 6.54 Agonist activity at human neuropeptide Y Y4 receptor expressed in HEK293T-ARRB1 ... 34748345
Neuropeptide Y receptor type 1 Ki = 457.09 nM 6.34 Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N... 34748345
Neuropeptide Y receptor type 4 EC50 = 676.08 nM 6.17 Agonist activity at human neuropeptide Y Y4 receptor expressed in CHO-mtAEQ cell... 34748345
Neuropeptide Y receptor type 1 Ki = 760.0 nM 6.12 Displacement of [3H]UR-MK299 from human neuropeptide Y Y1 receptor in human SK-N... 34748345

Literature References

PubMed DOI Target Context # Activities
34748345 10.1021/acs.jmedchem.1c01574 Neuropeptide Y receptor type 4 10
34748345 10.1021/acs.jmedchem.1c01574 Unchecked 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