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Compound Detail

CHEMBL1160723

LEVISOPRENALINE
🧪 Phase II
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🧪 Phase II
CC(C)NC[C@H](O)c1ccc(O)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1160723
Name LEVISOPRENALINE
Phase Phase II
Structure Type MOL
InChI Key JWZZKOKVBUJMES-NSHDSACASA-N

Known Names

(-)-isoproterenol Isoprenaline, (r)- Isoproterenol l-form Isoproterenol, l- Levisoprenalina Levisoprenaline
9
Targets
22
Activities
3
Assay Types
0
PK Parameters
16
Publications
6
Known Names

Molecular Properties

211.3
MW (Da)
1.13
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C11H17NO3
MW 211.26
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.50

Activity Summary

EC50 18 meas. best 8.66
Ki 3 meas. best 7.34
IC50 1 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 IC50 10.3 10.3 0.1 1
Beta-1 adrenergic receptor
CHEMBL5471
 EC50 8.66 7.16 2.2 2
Beta-2 adrenergic receptor
CHEMBL5414
 EC50 8.52 7.145 3.0 2
Beta-2 adrenergic receptor
CHEMBL210
 EC50 8.2 7.648 6.3 5
Beta-1 adrenergic receptor
CHEMBL213
 EC50 8.1 7.528 7.9 5
Beta-2 adrenergic receptor
CHEMBL5943
 EC50 7.7 7.7 20.0 1
Beta-3 adrenergic receptor
CHEMBL246
 EC50 7.4 7.4 39.8 1
Beta-2 adrenergic receptor
CHEMBL210
 Ki 7.34 7.34 46.0 1
Trachea
CHEMBL4296542
 EC50 6.89 6.89 130.0 1
Beta-2 adrenergic receptor
CHEMBL5943
 Ki 6.87 6.87 136.0 1
Beta-1 adrenergic receptor
CHEMBL3440
 Ki 6.66 6.66 220.0 1
Beta-3 adrenergic receptor
CHEMBL4031
 EC50 4.2 4.2 63000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor IC50 = 0.05 nM 10.3 Mitogenesis inhibition method: To measure beta2-AR mediated inhibition of mitoge... -
Beta-1 adrenergic receptor EC50 = 2.2 nM 8.66 Activity for Beta-1 adrenergic receptor was assessed from ability to stimulate c... 7562902
Beta-2 adrenergic receptor EC50 = 3.0 nM 8.52 Activity for Beta-2 adrenergic receptor was assessed from effect on relaxation o... 7562902
Beta-2 adrenergic receptor EC50 = 6.31 nM 8.2 Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-1 adrenergic receptor EC50 = 7.943 nM 8.1 Agonist activity at human beta1 adrenoceptor transfected in CHO cells assessed a... 24359185
Beta-2 adrenergic receptor EC50 = 20.0 nM 7.7 Agonist activity at adrenergic beta2 receptor in Syrian hamster DDT1 MF2 cells a... 18783211
Beta-2 adrenergic receptor EC50 = 19.95 nM 7.7 Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-1 adrenergic receptor EC50 = 25.12 nM 7.6 Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-2 adrenergic receptor EC50 = 25.12 nM 7.6 Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-3 adrenergic receptor EC50 = 39.81 nM 7.4 Agonist activity at human beta3 adrenoceptor transfected in CHO cells assessed a... 24359185
Beta-2 adrenergic receptor EC50 = 39.81 nM 7.4 Agonist activity at human beta2 adrenoceptor transfected in CHO cells assessed a... 24359185
Beta-1 adrenergic receptor EC50 = 43.65 nM 7.36 Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-2 adrenergic receptor EC50 = 45.71 nM 7.34 Agonist activity at beta2-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-2 adrenergic receptor Ki = 46.0 nM 7.34 Displacement of [3H]-CGP-12177 from human beta2-adrenergic receptor expressed in... 31042379
Beta-1 adrenergic receptor EC50 = 50.12 nM 7.3 Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Beta-1 adrenergic receptor EC50 = 52.48 nM 7.28 Agonist activity at beta1-adrenergic receptor (unknown origin) expressed in HEK2... 31042379
Trachea EC50 = 130.0 nM 6.89 Inhibition of carbachol-induced contraction of Sprague-Dawley rat tracheal rings... 24761833
Beta-2 adrenergic receptor Ki = 136.0 nM 6.87 Displacement of [125I](-)-iodopindolol from adrenergic beta2 receptor in Syrian ... 18783211
Beta-1 adrenergic receptor Ki = 220.0 nM 6.66 Displacement of [3H]-CGP-12177 from murine beta1-adrenergic receptor expressed i... 31042379
Beta-2 adrenergic receptor EC50 = 1700.0 nM 5.77 Activity for Beta-2 adrenergic receptor was assessed from effect on relaxation o... 7562902

Literature References

PubMed DOI Target Context # Activities
31042379 10.1021/acs.jmedchem.9b00349 Beta-1 adrenergic receptor 9
31042379 10.1021/acs.jmedchem.9b00349 Beta-2 adrenergic receptor 9
2836587 10.1021/jm00401a004 Beta-2 adrenergic receptor 6
- 10.1039/C0MD00227E Unchecked 5
- 10.1039/C0MD00227E NON-PROTEIN TARGET 4
18783211 10.1021/jm800613s Beta-2 adrenergic receptor 3
7562902 10.1021/jm00019a001 Beta-1 adrenergic receptor 2
7562902 10.1021/jm00019a001 Beta-2 adrenergic receptor 2
- 10.1039/C0MD00227E Adrenergic receptor beta 2
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 2
7562902 10.1021/jm00019a001 Beta-3 adrenergic receptor 1
24359185 10.1021/jm401532g Beta-3 adrenergic receptor 1
24359185 10.1021/jm401532g Beta-1 adrenergic receptor 1
24359185 10.1021/jm401532g Beta-2 adrenergic receptor 1
24761833 10.1021/np4008969 Trachea 1
592330 10.1021/jm00222a024 Canis familiaris 1

Data from ChEMBL 36 via Core Engine