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Compound Detail

CHEMBL501079

GALANIN
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CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL501079
Name GALANIN
Phase Preclinical
Structure Type BOTH
InChI Key SLZIZIJTGAYEKK-CIJSCKBQSA-N
3
Targets
15
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

3210.6
MW (Da)

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C146H213N43O40
MW 3210.57

Activity Summary

IC50 8 meas. best 9.8
Ki 7 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Galanin receptor type 1
CHEMBL4894
 Ki 10.52 9.7733 0.0 3
Galanin receptor type 1
CHEMBL4894
 IC50 9.8 9.33 0.2 3
Galectin-2
CHEMBL5977
 IC50 9.3 9.3 0.5 1
Galectin-2
CHEMBL5977
 Ki 9.19 9.19 0.6 1
Galanin receptor type 2
CHEMBL3176
 IC50 9.1 8.6525 0.8 4
Galanin receptor type 2
CHEMBL3176
 Ki 9.05 8.72 0.9 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Galanin receptor type 1 Ki = 0.03 nM 10.52 Binding affinity to human GalR1 20121116
Galanin receptor type 1 IC50 = 0.16 nM 9.8 Binding affinity to human GAL1 receptor by radioligand displacement assay 23582449
Galanin receptor type 1 Ki = 0.35 nM 9.46 Displacement of radiolabeled galanin from human galanin 1 receptor 18983139
Galanin receptor type 1 Ki = 0.46 nM 9.34 Binding affinity to human GAL1 receptor by radioligand displacement assay 23466604
Galectin-2 IC50 = 0.5 nM 9.3 Inhibition of GAL2 (unknown origin) 28849908
Galectin-2 Ki = 0.64 nM 9.19 Binding affinity to GAL2 (unknown origin) assessed as inhibition constant 28849908
Galanin receptor type 1 IC50 = 0.77 nM 9.11 Binding affinity to human GAL1 receptor by radioligand displacement assay 23466604
Galanin receptor type 2 IC50 = 0.8 nM 9.1 Binding affinity to human GAL2 receptor by radioligand displacement assay 23582449
Galanin receptor type 1 IC50 = 0.84 nM 9.08 Displacement of radiolabeled galanin from human galanin 1 receptor 18983139
Galanin receptor type 2 Ki = 0.9 nM 9.05 Binding affinity to human GalR2 20121116
Galanin receptor type 2 Ki = 2.4 nM 8.62 Binding affinity to human GAL2 receptor by radioligand displacement assay 23466604
Galanin receptor type 2 IC50 = 2.6 nM 8.59 Binding affinity to human GAL2 receptor by radioligand displacement assay 23466604
Galanin receptor type 2 Ki = 3.2 nM 8.49 Displacement of radiolabeled galanin from human galanin 2 receptor 18983139
Galanin receptor type 2 IC50 = 3.5 nM 8.46 Displacement of radiolabeled galanin from human galanin 2 receptor 18983139
Galanin receptor type 2 IC50 = 3.5 nM 8.46 Inhibition of human GAL2 receptor 18588282

Literature References

PubMed DOI Target Context # Activities
17698619 10.1128/aac.00166-07 Candida albicans 4
18983139 10.1021/jm8007618 Galanin receptor type 2 2
18983139 10.1021/jm8007618 Galanin receptor type 1 2
23466604 10.1016/j.ejmech.2013.01.044 Galanin receptor type 2 2
23466604 10.1016/j.ejmech.2013.01.044 Galanin receptor type 1 2
28849908 10.1021/acschembio.7b00481 Galectin-2 2
18588282 10.1021/jm701575k Galanin receptor type 2 1
20121116 10.1021/jm9018349 Galanin receptor type 1 1
20121116 10.1021/jm9018349 Galanin receptor type 2 1
23582449 10.1016/j.bmc.2013.03.016 Galanin receptor type 2 1
23582449 10.1016/j.bmc.2013.03.016 Galanin receptor type 1 1

Data from ChEMBL 36 via Core Engine