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Compound Detail

CHEMBL11608

TYRAMINE
🧪 Phase III
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🧪 Phase III
NCCc1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL11608
Name TYRAMINE
Phase Phase III
Structure Type MOL
InChI Key DZGWFCGJZKJUFP-UHFFFAOYSA-N

Known Names

2-p-hydroxyphenylethylamine FEMA NO. 4215 NSC-249188 Ractopamine hydrochloride suspension impurity, tyramine- Systogene Tocosine Tyramine Tyrosamine Uteramine
7
Targets
17
Activities
4
Assay Types
0
PK Parameters
20
Publications
9
Known Names
3
Indications

Molecular Properties

137.2
MW (Da)
0.89
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C8H11NO
MW 137.18
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness 0.76

Indications

Parkinson Disease Hypotension, Orthostatic Orthostatic Intolerance

Activity Summary

EC50 8 meas. best 7.52
Kd 4 meas. best 5.1
Ki 3 meas.
IC50 2 meas. best 6.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trace amine-associated receptor 1
CHEMBL3833
 EC50 7.52 7.34 30.0 2
Trace amine-associated receptor 1
CHEMBL5857
 EC50 7.12 6.5025 76.0 4
Trace amine-associated receptor 1
CHEMBL4908
 EC50 6.55 6.55 280.0 1
Trace amine-associated receptor 1
CHEMBL5857
 IC50 6.05 6.05 881.8 1
5-hydroxytryptamine receptor 2B
CHEMBL323
 Kd 5.1 5.1 7943.3 1
Serotonin (5-HT) receptor
CHEMBL2094123
 Kd 5.07 5.07 8511.4 2
5-hydroxytryptamine receptor 3A
CHEMBL1899
 EC50 4.58 4.58 26000.0 1
Beta-secretase 1
CHEMBL4822
 Kd 2.7 2.7 2000000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trace amine-associated receptor 1 EC50 = 30.0 nM 7.52 Agonist activity at rat TAAR1 stably expressed in HEK293 cells incubated for 30 ... 34264089
Trace amine-associated receptor 1 EC50 = 69.0 nM 7.16 Agonist activity at rat N-terminal FLAG-tagged TAAR1 expressed in HEK293 cells a... 28244748
Trace amine-associated receptor 1 EC50 = 76.0 nM 7.12 Agonist activity at recombinant human TAAR1 expressed in CHO-K1 cells assessed a... 35047111
Trace amine-associated receptor 1 EC50 = 177.71 nM 6.75 PubChem BioAssay. Fluorescence-based cell-based high throughput dose response as... -
Trace amine-associated receptor 1 EC50 = 280.0 nM 6.55 Agonist activity at mouse TAAR1 stably expressed in HEK293 cells incubated for 3... 34264089
Trace amine-associated receptor 1 EC50 = 731.0 nM 6.14 Agonist activity at human trace amine associated receptor 1 expressed in RD-HGA1... 18602830
Trace amine-associated receptor 1 IC50 = 881.84 nM 6.05 PubChem BioAssay. Counterscreen for agonists of the human trace amine associated... -
Trace amine-associated receptor 1 EC50 = 990.0 nM 6.0 Agonist activity at human TAAR1 stably expressed in HEK293 cells incubated for 3... 34264089
5-hydroxytryptamine receptor 2B Kd = 7943.28 nM 5.1 Antagonistic activity of corresponding methoxy compound against serotonin 5-HT r... 7411554
Serotonin (5-HT) receptor Kd = 8511.38 nM 5.07 Affinity against 5-hydroxytryptamine receptors in rat fundus model 7365744
Serotonin (5-HT) receptor Kd = 8511.38 nM 5.07 Antagonistic activity against serotonin 5-HT receptor obtained from rat stomach ... 7411554
5-hydroxytryptamine receptor 3A EC50 = 26000.0 nM 4.58 Activity at SER3 receptor expressed in HEK293 cells assessed as increase in calc... 18033297
Beta-secretase 1 Kd = 2000000.0 nM 2.7 Binding affinity to BACE1 by surface plasmon resonance method 18226904

Literature References

PubMed DOI Target Context # Activities
2002450 10.1021/jm00107a031 Dopamine beta-hydroxylase 3
34264089 10.1021/acs.jnatprod.1c00381 Trace amine-associated receptor 1 3
37468498 10.1038/s41467-023-40064-9 Prostaglandin G/H synthase 1 2
18033297 10.1038/nature05991 5-hydroxytryptamine receptor 3A 2
18602830 10.1016/j.bmc.2008.06.009 Trace amine-associated receptor 1 2
22222137 10.1016/j.ejmech.2011.12.027 Amine oxidase [flavin-containing] A 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
22222137 10.1016/j.ejmech.2011.12.027 Amine oxidase [flavin-containing] B 2
26948801 10.1016/j.drudis.2016.02.015 Homo sapiens 2
8632409 10.1021/jm950447w D(1A) dopamine receptor 2
37468498 10.1038/s41467-023-40064-9 Thromboxane A2 receptor 2
37487307 10.1016/j.ejmech.2023.115672 Mushroom tyrosinase 2
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
35047111 10.1021/acsmedchemlett.1c00527 Trace amine-associated receptor 1 2
24354319 10.1021/jm401316v Trace amine-associated receptor 1 2
6481771 10.1021/jm00376a024 Unchecked 2
6481771 10.1021/jm00376a024 Monoamine oxidase 2
6481771 10.1021/jm00376a024 Dopamine beta-hydroxylase 2
6252322 10.1021/jm00184a010 Opioid receptor 2

Data from ChEMBL 36 via Core Engine