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Compound Detail

CHEMBL535832

SEROTONIN HYDROCHLORIDE
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Cl.NCCc1c[nH]c2ccc(O)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL535832
Name SEROTONIN HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key MDIGAZPGKJFIAH-UHFFFAOYSA-N
Parent Compound CHEMBL39
Active Moiety CHEMBL39
5
Targets
8
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

176.2
MW (Da)
1.37
ALogP
2
HBA
3
HBD
62.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H13ClN2O
MW 212.68
Aromatic Rings 2
Heavy Atoms 13
NP-Likeness 0.64

Activity Summary

EC50 6 meas. best 9.49
IC50 1 meas. best 4.98
Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 2C
CHEMBL225
 EC50 9.49 9.49 0.3 2
5-hydroxytryptamine receptor 2A
CHEMBL224
 EC50 9.46 9.46 0.3 2
5-hydroxytryptamine receptor 2B
CHEMBL1833
 EC50 9.44 9.44 0.4 2
5-hydroxytryptamine receptor 1A
CHEMBL214
 Ki 8.0 8.0 10.0 1
Unchecked
CHEMBL612545
 IC50 4.98 4.98 10550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
5-hydroxytryptamine receptor 2C EC50 = 0.32 nM 9.49 Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 2C EC50 = 0.3236 nM 9.49 Agonist activity at human 5HT2C receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 2A EC50 = 0.35 nM 9.46 Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 2A EC50 = 0.3467 nM 9.46 Agonist activity at human 5HT2A receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 2B EC50 = 0.3631 nM 9.44 Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 2B EC50 = 0.36 nM 9.44 Agonist activity at human 5HT2B receptor stably expressed in Flp-In-T-REx-293 ce... 35450369
5-hydroxytryptamine receptor 1A Ki = 10.0 nM 8.0 Displacement of [3H]-8-OH-DPAT from human cloned 5HT1A receptor 22738316
Unchecked IC50 = 10550.0 nM 4.98 PUBCHEM_BIOASSAY: A biochemical assay using the ADP-Hunter methodology, purified... -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5058564 U2OS 8
35450369 10.1021/acsmedchemlett.1c00694 5-hydroxytryptamine receptor 2A 3
35450369 10.1021/acsmedchemlett.1c00694 5-hydroxytryptamine receptor 2C 3
35450369 10.1021/acsmedchemlett.1c00694 5-hydroxytryptamine receptor 2B 3
- 10.6019/CHEMBL5209801 Free fatty acid receptor 4 2
- 10.6019/CHEMBL5209801 Glucose-dependent insulinotropic receptor 2
- 10.6019/CHEMBL5209801 N-formyl peptide receptor 2 2
- 10.6019/CHEMBL5058564 Fibroblast 2
- 10.6019/CHEMBL5058564 HEK-293T 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL5209801 G-protein coupled receptor 35 2
- 10.6019/CHEMBL5209801 Alpha-2A adrenergic receptor 2
- 10.6019/CHEMBL5209801 CX3C chemokine receptor 1 2
23129510 10.1002/ps.3378 TyR1 2
- 10.6019/CHEMBL5209801 Glucagon-like peptide 1 receptor 2
- 10.6019/CHEMBL5209801 Type-1 angiotensin II receptor 2
- 10.6019/CHEMBL5209801 Apelin receptor 2
- 10.6019/CHEMBL5209801 Beta-2 adrenergic receptor 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2

Data from ChEMBL 36 via Core Engine