Compound Detail

CHEMBL434

ISOPROTERENOL

💊 Approved Drug

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💊 Approved Drug

CC(C)NCC(O)c1ccc(O)c(O)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL434
Name	ISOPROTERENOL
Phase	Approved
Structure Type	MOL
InChI Key	JWZZKOKVBUJMES-UHFFFAOYSA-N
Therapeutic	✓ Yes

Known Names

A-21 Aleudrin Aludrine Asiprenol Asmalar Assiprenol Bellasthman Isonorin Isoprenalina Isoprenaline Isopropydrin Isoproterenol +12 more

Targets

168

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Molecular Properties

211.3

MW (Da)

1.13

ALogP

HBA

HBD

72.7

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
First Approval	1956
Availability	Prescription
Chirality	Racemic

Routes of Administration

Parenteral Topical

Flags

Natural Product

Extended Properties

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

Indications

Cardiovascular Diseases Lung Diseases, Obstructive Atrial Fibrillation Kidney Calculi Hypotension, Orthostatic Lipoma Orthostatic Intolerance

ATC Classification

C01CA02

isoprenaline

Level 1: CARDIOVASCULAR SYSTEM

Level 2: CARDIAC THERAPY

R03AB02

isoprenaline

Level 1: RESPIRATORY SYSTEM

Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

R03CB01

isoprenaline

Level 1: RESPIRATORY SYSTEM

Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

R03CB51

isoprenaline, combinations

Level 1: RESPIRATORY SYSTEM

Level 2: DRUGS FOR OBSTRUCTIVE AIRWAY DISEASES

Activity Summary

EC50 121 meas. best 10.08

Ki 26 meas. best 8.61

IC50 14 meas. best 10.0

Kd 7 meas. best 7.75

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Beta-1 adrenergic receptor CHEMBL213	EC50	10.08	8.793	0.1	20
Beta-2 adrenergic receptor CHEMBL3754	IC50	10.0	10.0	0.1	1
Beta-2 adrenergic receptor CHEMBL2289	IC50	10.0	8.6667	0.1	3
Beta-2 adrenergic receptor CHEMBL210	EC50	9.8	8.3832	0.2	28
Beta-3 adrenergic receptor CHEMBL246	EC50	9.01	7.8184	1.0	25
Adrenergic receptor alpha-1 CHEMBL2094251	EC50	8.82	8.82	1.5	1
Beta-2 adrenergic receptor CHEMBL210	Ki	8.61	7.122	2.4	5
Cavia porcellus CHEMBL369	EC50	8.49	8.35	3.2	2
Taste receptor type 2 member 39 CHEMBL4523249	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 14 CHEMBL3309105	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 16 CHEMBL3309106	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 4 CHEMBL3309107	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 41 CHEMBL3309108	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 60 CHEMBL3309109	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 9 CHEMBL3309110	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 43 CHEMBL4523251	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 40 CHEMBL4523250	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 31 CHEMBL2034804	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 10 CHEMBL3559704	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 20 CHEMBL3559705	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 50 CHEMBL3559706	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 38 CHEMBL4523248	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 8 CHEMBL3988599	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 45 CHEMBL4523252	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 46 CHEMBL4523253	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 30 CHEMBL4523254	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 19 CHEMBL4523255	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 42 CHEMBL4523360	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 13 CHEMBL4523471	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 7 CHEMBL4523472	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 5 CHEMBL4523473	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 3 CHEMBL4523474	EC50	8.31	8.31	4.9	1
Taste receptor type 2 member 1 CHEMBL4523475	EC50	8.31	8.31	4.9	1
Beta-1 adrenergic receptor CHEMBL3252	IC50	8.28	7.25	5.3	2
Beta-1 adrenergic receptor CHEMBL5471	EC50	8.22	8.22	6.0	1
Adrenergic receptor beta CHEMBL2095166	EC50	8.15	8.15	7.0	1
Beta-2 adrenergic receptor CHEMBL5414	EC50	8.1	7.5633	7.9	6
Rattus norvegicus CHEMBL376	EC50	8.0	7.325	10.0	2
Beta-3 adrenergic receptor CHEMBL4031	EC50	7.89	7.475	13.0	2
Beta-2 adrenergic receptor CHEMBL5414	Kd	7.75	7.675	17.8	2
C3H 10T1/2 CHEMBL614531	EC50	7.72	7.72	19.0	1
Adrenergic receptor beta CHEMBL2094118	EC50	7.52	7.52	30.0	1
Unchecked CHEMBL612545	Ki	7.3	5.925	50.0	4
Beta-2 adrenergic receptor CHEMBL210	Kd	7.3	6.73	50.0	4
Beta-1 adrenergic receptor CHEMBL3252	Ki	7.1	6.79	80.0	3
Mustela putorius furo CHEMBL613114	EC50	7.06	7.06	87.1	1
Adrenergic receptor beta CHEMBL2095166	IC50	7.0	6.745	100.0	2
Beta-2 adrenergic receptor CHEMBL3373	Ki	6.96	6.96	110.0	2
Cavia porcellus CHEMBL369	IC50	6.82	6.82	150.0	1
Unchecked CHEMBL612545	IC50	6.82	6.625	150.0	2

Pharmacokinetic Data

Parameter	Value	Units	Species
CL	56.0	mL.min-1.kg-1	Homo sapiens
CL	112.3	mL.min-1.kg-1	Homo sapiens
F	49.0	%	Homo sapiens
Fu	0.71	-	Homo sapiens
KA	1.2e-07	M	Mus musculus
MRT	0.43	hr	Homo sapiens
T1/2	0.41	hr	Homo sapiens
T1/2	0.205	hr	Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Beta-1 adrenergic receptor	EC50	=	0.084	nM	10.08	Agonist activity at human beta-1 adrenergic receptor expressed in CHO cells asse...	18307290
Beta-1 adrenergic receptor	EC50	=	0.084	nM	10.08	Agonist activity at human cloned adrenergic beta-1 receptor expressed in CHO cel...	18752946
Beta-1 adrenergic receptor	EC50	=	0.084	nM	10.08	Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CH...	18553954
Beta-1 adrenergic receptor	EC50	=	0.084	nM	10.08	Agonist activity at human cloned beta-1 adrenergic receptor expressed in CHO cel...	18651730
Beta-1 adrenergic receptor	EC50	=	0.084	nM	10.08	Agonistic activity was assessed by measuring cAMP accumulation in CHO cell lines...	15603933
Beta-2 adrenergic receptor	IC50	=	0.1	nM	10.0	Agonistic activity for Beta-2 adrenergic receptor was assessed by it's inhibitor...	12502364
Beta-2 adrenergic receptor	IC50	=	0.1	nM	10.0	Inhibition of spontaneous contractions in isolated rat uterus	12502364
Beta-2 adrenergic receptor	IC50	=	0.1	nM	10.0	Agonistic activity towards beta-2 adrenoceptor. IC50, the mean concentration req...	11311067
Beta-2 adrenergic receptor	EC50	=	0.1585	nM	9.8	Activity against human beta 2 adrenergic receptor (AR), expressed in CHO cells	11806709
Beta-2 adrenergic receptor	EC50	=	0.1585	nM	9.8	Activity at human beta-2 adrenergic receptor expressed in CHO cells by stimulati...	16640337
Beta-2 adrenergic receptor	EC50	=	0.2	nM	9.7	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as...	24326276
Beta-2 adrenergic receptor	EC50	=	0.2138	nM	9.67	Agonist activity at human beta2 adrenoreceptor overexpressed in HEK293 cells ass...	34273662
Beta-2 adrenergic receptor	EC50	=	0.3162	nM	9.5	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as...	29751236
Beta-2 adrenergic receptor	EC50	=	0.3162	nM	9.5	Agonist activity at human beta2 adrenergic receptor expressed in HEK293 cells as...	30392952
Beta-2 adrenergic receptor	EC50	=	0.4677	nM	9.33	Agonist activity at human beta2 adrenoceptor expressed in HEK293 cells assessed ...	38347756
Beta-2 adrenergic receptor	EC50	=	0.7	nM	9.15	Agonist activity at human beta2-AR expressed in CHOK1 cells co-expressing Galpha...	29517238
Beta-2 adrenergic receptor	EC50	=	0.84	nM	9.08	Agonist activity at human recombinant adrenergic beta2 receptor expressed in CHO...	19608416
Beta-1 adrenergic receptor	EC50	=	0.84	nM	9.08	Agonist activity at human recombinant beta-1 adrenergic receptor expressed in CH...	19366244
Beta-3 adrenergic receptor	EC50	=	0.97	nM	9.01	Agonist activity at human cloned adrenergic beta3 receptor expressed in CHO cell...	18752946
Beta-3 adrenergic receptor	EC50	=	0.97	nM	9.01	Agonist activity at human recombinant beta3 adrenergic receptor expressed in CHO...	18553954

Literature References

PubMed	DOI	Target Context	# Activities
-	10.6019/CHEMBL3885881	Rattus norvegicus	1204
22194678	10.1371/journal.pcbi.1002310	Hepatotoxicity	14
950653	10.1021/jm00228a020	Canis familiaris	12
2164340	10.1177/000348949009900717	Unchecked	8
16799554	10.1038/nchembio801	Unchecked	7
7277389	10.1021/jm00139a013	Canis familiaris	6
619150	10.1021/jm00199a013	Beta-1 adrenergic receptor	6
2864447	10.1021/jm00148a006	Canis familiaris	6
27132867	10.1016/j.bmc.2016.04.028	D(2) dopamine receptor	6
27132867	10.1016/j.bmc.2016.04.028	Beta-2 adrenergic receptor	5
6115058	10.1021/jm00135a015	Canis familiaris	5
24326276	10.1016/j.bmc.2013.11.030	Beta-2 adrenergic receptor	4
18426954	10.1124/dmd.108.020479	ADMET	4
7277389	10.1021/jm00139a013	Cavia porcellus	4
423210	10.1021/jm00189a012	Cavia porcellus	4
2607347	10.1021/np50065a024	Heart	4
10447956	10.1021/jm991004l	Rattus norvegicus	4
3009812	10.1021/jm00155a025	Adrenergic receptor beta	4
7154009	10.1021/jm00354a017	Canis familiaris	4
20081854	10.1038/nchembio.307	Danio rerio	4

Data from ChEMBL 36 via Core Engine