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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1200604
CHEMBL1200604
Compound Name TROPICAMIDE
ChEMBL Synonyms NODS | MYDRIAFAIR | MYDRIACYL | TROPICACYL | TROPICAMIDE
Max Phase 4 (Approved)
Trade Names TROPICAMIDE | MYDRIACYL | TROPICACYL | MYDRIAFAIR | NODS
Molecular Formula C17H20N2O2

Additional synonyms for CHEMBL1200604 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2
Standard InChI InChI=1S/C17H20N2O2/c1-2-19(12-14-8-10-18-11-9-14)17(21)16(1 ...
Download InChI
Standard InChI Key BGDKAVGWHJFAGW-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1200604

Molecule Features

CHEMBL1200604 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Muscarinic acetylcholine receptor M3 antagonist Muscarinic acetylcholine receptor M3 ISBN PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Eye DiseasesD005128EFO:0003966eye disease3ClinicalTrials
Parkinson DiseaseD010300EFO:0002508Parkinson's disease2ClinicalTrials
SialorrheaD0127982ClinicalTrials

Clinical Data

ClinicalTrials.gov TROPICAMIDE
The Cochrane Collaboration TROPICAMIDE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1200604. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.994
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.968
CHEMBL1293237 Bloom syndrome protein Homo sapiens 0.942
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.871
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.746
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.690
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.619
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.505
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.341
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.256



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4018 Neuropeptide Y receptor type 2 Homo sapiens 0.980
CHEMBL4306 Voltage-gated potassium channel subunit Kv1.5 Homo sapiens 0.962
CHEMBL5850 Mas-related G-protein coupled receptor member X1 Homo sapiens 0.958
CHEMBL4552 Peripheral-type benzodiazepine receptor Rattus norvegicus 0.941
CHEMBL3399910 Probable G-protein coupled receptor 88 Homo sapiens 0.930
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.682
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.584
CHEMBL3231 Rho-associated protein kinase 1 Homo sapiens 0.406
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.356
CHEMBL4414 Plasmepsin 2 Plasmodium falciparum 0.317
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.312

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
284.4 284.1525 2.21 6 53.43 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.32 .64 .64 2 21 0.88

Structural Alerts

There are 1 structural alerts for CHEMBL1200604. To view alerts please click here.

Compound Cross References

ATC S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01F - MYDRIATICS AND CYCLOPLEGICS
S01FA - Anticholinergics
S01FA56 - tropicamide, combinations

S - SENSORY ORGANS
S01 - OPHTHALMOLOGICALS
S01F - MYDRIATICS AND CYCLOPLEGICS
S01FA - Anticholinergics
S01FA06 - tropicamide

ChemSpider ChemSpider:BGDKAVGWHJFAGW-UHFFFAOYSA-N
DailyMed tropicamide
PubChem SID: 104171259 SID: 144203848 SID: 170464754 SID: 26747134 SID: 50086517 SID: 50104635 SID: 85231280 SID: 90341160
Wikipedia Tropicamide

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1200604



ACToR 1508-75-4
BindingDB 82371
ChEBI 9757
ChemicalBook CB9337073
DrugBank DB00809
DrugCentral 2774
eMolecules 595233
EPA CompTox Dashboard DTXSID8045220
Guide to Pharmacology 7319
Human Metabolome Database HMDB0014947
IBM Patent System BE8A7C021A78E5A5ED3B3F41547EB6AA
LINCS LSM-1814
Mcule MCULE-4102613027
MolPort MolPort-000-159-321
NIH Clinical Collection SAM002564235
Nikkaji J3.670F
PharmGKB PA164749389
PubChem 5593
PubChem: Thomson Pharma 14751045
Selleck tropicamide
SureChEMBL SCHEMBL23975

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/BGDKAVGWHJFAGW-UHFFFAOYSA-N spacer
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