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Compound Detail

CHEMBL1711

ISOPROTERENOL HYDROCHLORIDE
💊 Approved Drug
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💊 Approved Drug
CC(C)NCC(O)c1ccc(O)c(O)c1.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1711
Name ISOPROTERENOL HYDROCHLORIDE
Phase Approved
Structure Type MOL
InChI Key IROWCYIEJAOFOW-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL434
Active Moiety CHEMBL434

Known Names

Aerolone Aerotrol Dl-isoprenaline hydrochloride Euspiran Imuprel Isomenyl Isoprenaline hydrochloride Isoprenaline hydrochloride, dl- Isoproterenol dl-form hydrochloride Isoproterenol hcl Isoproterenol hydrochloride Isoproterenol hydrochloride component of duo-medihaler +9 more
3
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
21
Known Names
1
Indications
1
Mechanisms

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
First Approval 1956
Availability Prescription
Chirality Racemic

Routes of Administration

Parenteral Topical

Extended Properties

Molecular Formula C11H18ClNO3
MW 247.72
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.50

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Adrenergic receptor beta agonist AGONIST Adrenergic receptor beta ✓ ✓

Indications

Heart Failure

Activity Summary

EC50 7 meas. best 10.26
IC50 2 meas. best 5.1
Ki 2 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL210
 EC50 10.26 7.0917 0.1 6
Beta-1 adrenergic receptor
CHEMBL213
 EC50 8.81 8.81 1.5 1
Beta-2 adrenergic receptor
CHEMBL210
 Ki 6.3 6.3 501.0 2
Plasmodium falciparum
CHEMBL364
 IC50 5.1 5.05 7943.3 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor EC50 = 0.05495 nM 10.26 Agonist activity at human beta2 adrenoreceptor overexpressed in human HEK293 cel... 31753798
Beta-1 adrenergic receptor EC50 = 1.549 nM 8.81 Agonist activity at human beta1 adrenoreceptor overexpressed in human HEK293 cel... 31753798
Beta-2 adrenergic receptor EC50 = 128.82 nM 6.89 Agonist activity at recombinant human beta2 adrenoceptor expressed in DU145 cell... 22182578
Beta-2 adrenergic receptor EC50 = 240.0 nM 6.62 Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T ce... 22182578
Beta-2 adrenergic receptor EC50 = 239.88 nM 6.62 Agonist activity at recombinant human beta2 adrenoceptor expressed in HEK293T ce... 22182578
Beta-2 adrenergic receptor Ki = 501.0 nM 6.3 Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in ... 22182578
Beta-2 adrenergic receptor Ki = 501.19 nM 6.3 Displacement of [3H]-DHA from recombinant human beta2 adrenoceptor expressed in ... 22182578
Beta-2 adrenergic receptor EC50 = 828.0 nM 6.08 PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... -
Beta-2 adrenergic receptor EC50 = 822.0 nM 6.08 PUBCHEM_BIOASSAY: Dose response for HTS for Beta-2AR agonists via FAP method fro... -
Plasmodium falciparum IC50 = 7943.28 nM 5.1 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 10000.0 nM 5.0 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910

Literature References

PubMed DOI Target Context # Activities
22182578 10.1016/j.bmc.2011.11.054 Beta-2 adrenergic receptor 6
22817559 10.1021/jm300289k Cholinesterase 5
31753798 10.1016/j.bmc.2019.115178 Unchecked 4
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
31753798 10.1016/j.bmc.2019.115178 Beta-2 adrenergic receptor 3
19734910 10.1038/nchembio.215 Plasmodium falciparum 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
16136 10.1021/jm00215a014 Beta-1 adrenergic receptor 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
40027 10.1021/jm00194a004 Canis familiaris 2
22817559 10.1021/jm300289k Unchecked 2
22817559 10.1021/jm300289k Cholinesterases; ACHE & BCHE 2
17417631 10.1038/nchembio873 Unchecked 2
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
22817559 10.1021/jm300289k Acetylcholinesterase 1
16136 10.1021/jm00215a014 Beta-2 adrenergic receptor 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
20843939 10.1124/dmd.110.035113 Hepatotoxicity 1
20553011 10.1021/tx1000865 Hepatotoxicity 1

Data from ChEMBL 36 via Core Engine