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

CHEMBL83063

RITODRINE
💊 Approved Drug
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
💊 Approved Drug
CC(NCCc1ccc(O)cc1)C(O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL83063
Name RITODRINE
Phase Approved
Structure Type MOL
InChI Key IOVGROKTTNBUGK-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

DU-21220 Ritodrina Ritodrine
3
Targets
3
Activities
2
Assay Types
6
PK Parameters
20
Publications
3
Known Names

Molecular Properties

287.4
MW (Da)
2.35
ALogP
4
HBA
4
HBD
72.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral Parenteral

Flags

Natural Product
USAN Stem -drine
USAN Year 1969

Extended Properties

Molecular Formula C17H21NO3
MW 287.36
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.23

ATC Classification

G02CA01
ritodrine
Level 1: GENITO URINARY SYSTEM AND SEX HORMONES
Level 2: OTHER GYNECOLOGICALS

Activity Summary

IC50 2 meas. best 7.62
EC50 1 meas. best 6.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Beta-2 adrenergic receptor
CHEMBL3754
 IC50 7.62 7.62 24.0 1
Beta-3 adrenergic receptor
CHEMBL4031
 EC50 6.72 6.72 190.6 1
Galanin receptor type 3
CHEMBL2731
 IC50 6.03 6.03 932.0 1

Pharmacokinetic Data

Parameter Value Units Species
CL 31.0 mL.min-1.kg-1 Homo sapiens
CL 103.5 mL.min-1.g-1 Homo sapiens
F 49.0 % Homo sapiens
Fu 0.64 - Homo sapiens
MRT 2.4 hr Homo sapiens
T1/2 2.6 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Beta-2 adrenergic receptor IC50 = 23.99 nM 7.62 Agonistic activity towards beta-2 adrenoceptor. Mean concentration required to p... 11311067
Beta-3 adrenergic receptor EC50 = 190.55 nM 6.72 Agonistic activity towards beta-3 adrenoceptor. Mean concentration required to p... 11311067
Galanin receptor type 3 IC50 = 932.0 nM 6.03 PubChem BioAssay. Fluorescence-based cell-based primary high throughput dose res... -

Literature References

PubMed DOI Target Context # Activities
16472241 10.2174/1570163043334794 Hepatotoxicity 18
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
37468498 10.1038/s41467-023-40064-9 Nuclear receptor subfamily 1 group I member 2 4
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M2 4
37468498 10.1038/s41467-023-40064-9 Alpha-1A adrenergic receptor 4
37468498 10.1038/s41467-023-40064-9 Progesterone receptor 4
18426954 10.1124/dmd.108.020479 ADMET 4
37468498 10.1038/s41467-023-40064-9 Mu-type opioid receptor 3
33606526 10.1021/acs.jmedchem.0c02047 POU domain, class 2, transcription factor 1 3
37468498 10.1038/s41467-023-40064-9 Androgen receptor 3
37468498 10.1038/s41467-023-40064-9 Muscarinic acetylcholine receptor M1 2
11311067 10.1021/jm000455z Unchecked 2
11311067 10.1021/jm000455z Beta-3 adrenergic receptor 2
37468498 10.1038/s41467-023-40064-9 Equilibrative nucleoside transporter 1 2
37468498 10.1038/s41467-023-40064-9 Adenosine receptor A3 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
37468498 10.1038/s41467-023-40064-9 Sodium-dependent noradrenaline transporter 2
37468498 10.1038/s41467-023-40064-9 D(2) dopamine receptor 2
10891117 10.1021/jm0000564 ADMET 2

Data from ChEMBL 36 via Core Engine