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Compound Detail

CHEMBL267633

NEUROPEPTIDE-Y
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O)[C@@H](C)O)[C@@H](C)CC

Basic Information

ChEMBL ID CHEMBL267633
Name NEUROPEPTIDE-Y
Phase Preclinical
Structure Type BOTH
InChI Key URPYMXQQVHTUDU-OFGSCBOVSA-N
6
Targets
21
Activities
3
Assay Types
0
PK Parameters
17
Publications
0
Known Names

Molecular Properties

4253.7
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C190H287N55O57
MW 4253.71

Activity Summary

IC50 12 meas. best 10.16
Ki 8 meas. best 10.55
Kd 1 meas. best 4.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuropeptide Y receptor type 2
CHEMBL4018
Ki 10.55 10.0533 0.0 3
Neuropeptide Y receptor type 2
CHEMBL4018
IC50 10.16 9.7833 0.1 3
Unchecked
CHEMBL612545
IC50 10.15 9.675 0.1 2
Neuropeptide Y receptor type 1
CHEMBL4777
Ki 9.92 9.124 0.1 5
Neuropeptide Y receptor type 1
CHEMBL4777
IC50 9.77 9.265 0.2 4
Rattus norvegicus
CHEMBL376
IC50 9.74 8.755 0.2 2
Neuropeptide Y receptor type 2
CHEMBL3309
IC50 8.7 8.7 2.0 1
No relevant target
CHEMBL2362975
Kd 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuropeptide Y receptor type 2 Ki = 0.028 nM 10.55 Binding affinity to Y2 (unknown origin) assessed as inhibition constant 28849908
Neuropeptide Y receptor type 2 IC50 = 0.069 nM 10.16 Inhibition of Y2 (unknown origin) 28849908
Unchecked IC50 = 0.07 nM 10.15 Compound was tested for the inhibition of [125I]BH-NPY binding to Neuropeptide Y... 1552507
Neuropeptide Y receptor type 2 Ki = 0.081 nM 10.09 Displacement of radiolabeled NPY from human neuropeptide Y2 receptor 18983139
Neuropeptide Y receptor type 1 Ki = 0.12 nM 9.92 Binding affinity to Y1 (unknown origin) assessed as inhibition constant 28849908
Neuropeptide Y receptor type 1 Ki = 0.12 nM 9.92 Displacement of radiolabeled NPY from human neuropeptide Y1 receptor 18983139
Neuropeptide Y receptor type 1 IC50 = 0.17 nM 9.77 Displacement of radiolabeled NPY from human neuropeptide Y1 receptor 18983139
Neuropeptide Y receptor type 1 IC50 = 0.17 nM 9.77 Inhibition of Y1 (unknown origin) 28849908
Rattus norvegicus IC50 = 0.18 nM 9.74 Inhibitory activity against isoproterenol-stimulated hyphalamic membrane adenyla... 8145232
Neuropeptide Y receptor type 2 IC50 = 0.2 nM 9.7 Displacement of radiolabeled NPY from human neuropeptide Y2 receptor 18983139
Neuropeptide Y receptor type 2 Ki = 0.3 nM 9.52 Affinity against Neuropeptide Y2 receptor on SK-N-BE2 human neuroblastoma cells 8254609
Neuropeptide Y receptor type 2 IC50 = 0.32 nM 9.49 Affinity against Neuropeptide Y receptor Y2 in SK-N-BE2 cell line 10978189
Neuropeptide Y receptor type 1 Ki = 0.5 nM 9.3 Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cell... 19053784
Unchecked IC50 = 0.63 nM 9.2 Inhibition of [125I]-labeled NPY binding to rat hyphalamic membranes 8145232
Neuropeptide Y receptor type 1 IC50 = 0.9772 nM 9.01 Displacement of [3H]UR-MK114 from neuropeptide Y1 receptor in human SK-N-MC cell... 19053784
Neuropeptide Y receptor type 1 Ki = 2.0 nM 8.7 Affinity against Neuropeptide Y1 receptor on SK-N-MC human neuroblastoma cells 8254609
Neuropeptide Y receptor type 2 IC50 = 2.0 nM 8.7 Antisecretory potency, affinity for intestinal PYY of rat jejunum by using short... 10978189
Neuropeptide Y receptor type 1 IC50 = 3.07 nM 8.51 Affinity against Neuropeptide Y receptor Y1 in SK-N-MC cell line 10978189
Neuropeptide Y receptor type 1 Ki = 16.6 nM 7.78 Displacement of (sCy5)-[Lys2 Arg4]-BVD15 from GFP-tagged Y1R in human HEK293T ce... 32364733
Rattus norvegicus IC50 = 17.0 nM 7.77 Compound was tested for the inhibition of electrically stimulated contractions o... 1552507

Literature References

PubMed DOI Target Context # Activities
2918505 10.1021/jm00123a014 Rattus norvegicus 3
28849908 10.1021/acschembio.7b00481 Neuropeptide Y receptor type 1 2
28849908 10.1021/acschembio.7b00481 Neuropeptide Y receptor type 2 2
19053784 10.1021/jm801018u Neuropeptide Y receptor type 1 2
18983139 10.1021/jm8007618 Neuropeptide Y receptor type 2 2
18983139 10.1021/jm8007618 Neuropeptide Y receptor type 1 2
10978189 10.1021/jm000052z Neuropeptide Y receptor type 2 2
8145232 10.1021/jm00032a015 Rattus norvegicus 1
32364733 10.1021/acs.jmedchem.0c00027 Neuropeptide Y receptor type 1 1
8254609 10.1021/jm00076a007 Neuropeptide Y receptor type 2 1
8254609 10.1021/jm00076a007 Neuropeptide Y receptor type 1 1
8145232 10.1021/jm00032a015 Unchecked 1
2918505 10.1021/jm00123a014 Unchecked 1
1552507 10.1021/jm00084a021 No relevant target 1
1552507 10.1021/jm00084a021 Rattus norvegicus 1
1552507 10.1021/jm00084a021 Unchecked 1
10978189 10.1021/jm000052z Neuropeptide Y receptor type 1 1

Data from ChEMBL 36 via Core Engine