Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL77921

MEDETOMIDINE
🧪 Phase III
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase III
Cc1cccc(C(C)c2c[nH]cn2)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL77921
Name MEDETOMIDINE
Phase Phase III
Structure Type MOL
InChI Key CUHVIMMYOGQXCV-UHFFFAOYSA-N

Known Names

Domitor Medetomidina Medetomidine
5
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

200.3
MW (Da)
3.18
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic

Flags

Natural Product
USAN Year 1987

Extended Properties

Molecular Formula C13H16N2
MW 200.28
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.44

Activity Summary

Ki 6 meas. best 7.72
EC50 3 meas. best 8.52
IC50 2 meas. best 5.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adrenergic receptor alpha-2
CHEMBL2095158
 EC50 8.52 8.52 3.0 1
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 7.72 7.64 19.0 3
Adrenergic receptor alpha-1
CHEMBL1907610
 EC50 6.55 6.55 281.0 1
Adrenergic receptor alpha-1
CHEMBL1907610
 Ki 5.96 5.96 1102.0 3
Adrenergic receptor alpha-1
CHEMBL2094251
 EC50 5.93 5.93 1165.0 1
Adrenergic receptor alpha-2
CHEMBL2095158
 IC50 5.54 5.54 2900.0 1
Alpha-2A adrenergic receptor
CHEMBL1867
 IC50 5.47 5.47 3400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Adrenergic receptor alpha-2 EC50 = 3.0 nM 8.52 Tested for its inhibitory activity against alpha-2 adrenoceptor in guinea pig il... 7914537
Adrenergic receptor alpha-2 Ki = 19.0 nM 7.72 Tested for its binding affinity against alpha-2 receptor in rat brain membrane 7914537
Adrenergic receptor alpha-2 Ki = 25.0 nM 7.6 Displacement of [3H]rauwolscine from Alpha-2 adrenergic receptor of rat brain me... 9301663
Adrenergic receptor alpha-2 Ki = 25.0 nM 7.6 Alpha-2 adrenergic receptor binding affinity was tested against membrane prepara... 8709134
Adrenergic receptor alpha-1 EC50 = 281.0 nM 6.55 50% Molar effective concentration afainst Alpha-1 adrenergic receptor in rat aor... 8709134
Adrenergic receptor alpha-1 Ki = 1110.0 nM 5.96 Displacement of [3H]-prazosin from Alpha-1 adrenergic receptor of rat brain memb... 9301663
Adrenergic receptor alpha-1 Ki = 1109.0 nM 5.96 Alpha-1 adrenergic receptor binding affinity in rat brain membranes 8709134
Adrenergic receptor alpha-1 Ki = 1102.0 nM 5.96 Tested for its binding affinity against alpha-1 receptor in rat brain membrane 7914537
Adrenergic receptor alpha-1 EC50 = 1165.0 nM 5.93 Tested for its inhibitory activity against alpha-1 adrenoceptor in guinea pig il... 7914537
Adrenergic receptor alpha-2 IC50 = 2900.0 nM 5.54 Alpha-2 adrenergic receptor antagonistic activity in human blood platelets. 8709134
Alpha-2A adrenergic receptor IC50 = 3400.0 nM 5.47 Tested for its ability to antagonize epinephrine induced primary wave aggregatio... 7914537

Literature References

PubMed DOI Target Context # Activities
8709134 10.1021/jm9506074 Adrenergic receptor alpha-1 3
37468498 10.1038/s41467-023-40064-9 Alpha-2A adrenergic receptor 3
20014752 10.1021/tx900326k Hepatotoxicity 3
7914537 10.1021/jm00041a011 Adrenergic receptor alpha-1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2A 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 1A 2
7914537 10.1021/jm00041a011 Adrenergic receptor alpha-2 2
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 2
37468498 10.1038/s41467-023-40064-9 5-hydroxytryptamine receptor 2B 2
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 2
8709134 10.1021/jm9506074 Adrenergic receptor alpha-2 2
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 2
37468498 10.1038/s41467-023-40064-9 Gamma-aminobutyric acid receptor subunit alpha-1 2
7914537 10.1021/jm00041a011 Adrenergic receptor alpha 1
7914537 10.1021/jm00041a011 Unchecked 1
8709134 10.1021/jm9506074 Unchecked 1
9301663 10.1021/jm960642q Adrenergic receptor alpha 1

Data from ChEMBL 36 via Core Engine