ATROPINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1960)
Entry Type: Small molecule
Molecule Category: Parent
ATC: A03BA01
UNII: 7C0697DR9I

Structure
InChI Key RKUNBYITZUJHSG-SPUOUPEWSA-N
Smile CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)C(CO)c1ccccc1)C2
InChI
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16?

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H23NO3
Molecular Weight 289.37
AlogP 1.93
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 49.77
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Muscarinic acetylcholine receptor M1 antagonist Wikipedia FDA ISBN
Primary Target
M1 receptor
M2 receptor
M3 receptor
M4 receptor
M5 receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - 0-1 -
Ion channel Ligand-gated ion channel Nicotinic acetylcholine receptor
- - - 32500 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- - - - 5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1-5 1-2 0-19 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- 12200 - - 77

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Strabismus 3 D013285 ClinicalTrials
Headache 3 D006261 ClinicalTrials
Anisometropia 3 D015858 ClinicalTrials
Dwarfism, Pituitary 3 D004393 ClinicalTrials
Myopia 3 D009216 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Amblyopia 3 D000550 ClinicalTrials
Heart Arrest 2 D006323 ClinicalTrials
Hypospadias 2 D007021 ClinicalTrials
Pneumonia, Ventilator-Associated 2 D053717 ClinicalTrials
Hemorrhage 2 D006470 ClinicalTrials
Blood Coagulation Disorders 2 D001778 ClinicalTrials
Rhinitis, Allergic, Seasonal 2 D006255 ClinicalTrials
Bradycardia 2 D001919 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials
Hypotension, Orthostatic 1 D007024 ClinicalTrials
Prediabetic State 1 D011236 ClinicalTrials
Orthostatic Intolerance 1 D054971 ClinicalTrials
Hypoglycemia 0 D007003 ClinicalTrials
Postoperative Complications 0 D011183 ClinicalTrials
Insulin Resistance 0 D007333 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt
Mixture

Side Effects from Label

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
13.7
General disorders and administration site conditions
13.26
Immune system disorders
13.26
Injury, poisoning and procedural complications
11.96
Cardiac disorders
8.26
Psychiatric disorders
7.61
Respiratory, thoracic and mediastinal disorders
5.0
Vascular disorders
4.78
Skin and subcutaneous tissue disorders
3.91
Investigations
3.48
Renal and urinary disorders
3.04
Eye disorders
2.83
Gastrointestinal disorders
2.61
Musculoskeletal and connective tissue disorders
2.61

Cross References

Resources Reference
CAS NUMBER 51-55-8
ChEBI 78734
ChEMBL CHEMBL517712
DrugBank DB00572
DrugCentral 260
EPA CompTox DTXSID4020113
FDA SRS 7C0697DR9I
Human Metabolome Database HMDB0014712
Guide to Pharmacology 320
KEGG C01479
SureChEMBL SCHEMBL2812
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