Compound Detail
CHEMBL33103
ACETYLSEROTONIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL33103 |
| Name | ACETYLSEROTONIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MVAWJSIDNICKHF-UHFFFAOYSA-N |
6
Targets
8
Activities
3
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
1.55
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.3
EC50 2 meas. best 4.71
Ki 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Melatonin receptor CHEMBL2095154 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
| Sepiapterin reductase CHEMBL3988583 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL4685 | EC50 | 4.71 | 4.71 | 19560.0 | 1 |
| Indoleamine 2,3-dioxygenase 1 CHEMBL1075294 | EC50 | 4.68 | 4.68 | 20950.0 | 1 |
| Palmitoleoyl-protein carboxylesterase NOTUM CHEMBL3714531 | IC50 | 4.03 | 4.03 | 93600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Melatonin receptor | Ki | = | 1640.0 | nM | 5.79 | In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin... | 8759629 |
| Sepiapterin reductase | IC50 | = | 5000.0 | nM | 5.3 | Inhibition of human sepiapterin reductase using L-sepiapterin as substrate prein... | 31244106 |
| Unchecked | IC50 | = | 7000.0 | nM | 5.16 | PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... | - |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 19560.0 | nM | 4.71 | Positive allosteric modulation of recombinant human IDOL transfected in mouse P1... | 37974956 |
| Indoleamine 2,3-dioxygenase 1 | EC50 | = | 20950.0 | nM | 4.68 | Positive allosteric modulation of recombinant mouse IDOL transfected in mouse P1... | 37974956 |
| Palmitoleoyl-protein carboxylesterase NOTUM | IC50 | = | 93600.0 | nM | 4.03 | Inhibition of human Notum using OPTS substrate by fluorescence based assay | 33783220 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19524439 | 10.1016/j.bmcl.2009.05.115 | Tyrosinase | 7 |
| - | 10.1016/S0960-894X(01)80518-7 | Mus musculus | 2 |
| 19524439 | 10.1016/j.bmcl.2009.05.115 | B16 | 2 |
| 423184 | 10.1021/jm00187a015 | Rattus norvegicus | 2 |
| 37974956 | 10.1039/d3md00399j | Indoleamine 2,3-dioxygenase 1 | 2 |
| 9748358 | 10.1021/jm9810093 | Melatonin receptor | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1A | 1 |
| 12672242 | 10.1021/jm020982d | Melatonin receptor type 1B | 1 |
| 8759629 | 10.1021/jm960219h | Melatonin receptor | 1 |
| 17417631 | 10.1038/nchembio873 | Unchecked | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B1 | 1 |
| 23571415 | 10.1124/mol.112.084152 | Solute carrier organic anion transporter family member 1B3 | 1 |
| 30343193 | 10.1016/j.ejmech.2018.10.027 | Unchecked | 1 |
| 31244106 | 10.1021/acs.jmedchem.9b00218 | Sepiapterin reductase | 1 |
| 33783220 | 10.1021/acs.jmedchem.0c01974 | Palmitoleoyl-protein carboxylesterase NOTUM | 1 |
Data from ChEMBL 36 via Core Engine