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Compound Detail

CHEMBL286615

LUZINDOLE
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CC(=O)NCCc1c(Cc2ccccc2)[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL286615
Name LUZINDOLE
Phase Preclinical
Structure Type MOL
InChI Key WVVXBPKOIZGVNS-UHFFFAOYSA-N
6
Targets
13
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.44
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C19H20N2O
MW 292.38
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.17

Activity Summary

Ki 9 meas. best 7.99
IC50 4 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Melatonin receptor type 1A
CHEMBL1945
 Ki 7.99 6.7775 10.2 4
Melatonin receptor type 1B
CHEMBL1946
 Ki 7.99 7.3675 10.2 4
Melatonin receptor
CHEMBL2095154
 Ki 5.79 5.79 1606.0 1
Melanophore
CHEMBL614313
 IC50 5.68 5.68 2100.0 1
Melatonin receptor type 1C
CHEMBL5495
 IC50 5.61 5.61 2454.7 1
Unchecked
CHEMBL612545
 IC50 5.61 5.61 2454.7 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Melatonin receptor type 1B Ki = 10.2 nM 7.99 Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expres... 24228714
Melatonin receptor type 1A Ki = 10.23 nM 7.99 Binding affinity to MT1 receptor (unknown origin) assessed as inhibition constan... 37866336
Melatonin receptor type 1B Ki = 44.7 nM 7.35 Binding affinity towards recombinant human melatonin receptor type 1B expressed ... 10737738
Melatonin receptor type 1B Ki = 46.77 nM 7.33 Displacement of 2[125I]iodomelatonin from recombinant human MT2 receptor express... 17346859
Melatonin receptor type 1A Ki = 158.0 nM 6.8 Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expres... 24228714
Melatonin receptor type 1B Ki = 158.49 nM 6.8 Binding affinity to MT2 receptor (unknown origin) assessed as inhibition constan... 37866336
Melatonin receptor type 1A Ki = 603.0 nM 6.22 Binding affinity towards recombinant human melatonin receptor type 1A expressed ... 10737738
Melatonin receptor type 1A Ki = 794.33 nM 6.1 Displacement of 2[125I]iodomelatonin from recombinant human MT1 receptor express... 17346859
Melatonin receptor Ki = 1606.0 nM 5.79 Binding affinity towards melatonin receptor, determined in chicken brain membran... 9484496
Melanophore IC50 = 2100.0 nM 5.68 Inhibitory concentration against melatonin-induced pigment aggregation by 50% in... 9484496
Unchecked IC50 = 2460.0 nM 5.61 Agonistic activity against melatonin of Xenopus melanophores 10737738
Melatonin receptor type 1C IC50 = 2454.71 nM 5.61 Antagonist activity in Xenopus laevis melanophores assessed as melatoninergic ac... 17346859
Unchecked IC50 = 2454.71 nM 5.61 Antagonist activity at melatonin receptor in Xenopus laevis melanophores assesse... 17988084

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5724801 Fibroblast 304
- 10.6019/CHEMBL5724801 U2OS 304
- 10.6019/CHEMBL5058577 U2OS 304
- 10.6019/CHEMBL5724801 HEK-293T 304
- 10.6019/CHEMBL5058577 HEK-293T 304
- 10.6019/CHEMBL5058577 Fibroblast 304
30798050 10.1016/j.ejmech.2019.02.019 Plasmodium falciparum 24
- 10.6019/CHEMBL5058564 U2OS 6
- 10.6019/CHEMBL5058564 Fibroblast 3
10737738 10.1021/jm980684+ Unchecked 2
17346859 10.1016/j.ejmech.2007.01.005 Melatonin receptor type 1C 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
17988084 10.1021/jm7010723 Unchecked 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5058564 HEK-293T 2
24738476 10.1021/jm5000613 Unchecked 2
9484496 10.1021/jm970246n Melanophore 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2

Data from ChEMBL 36 via Core Engine