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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL905
CHEMBL905
Compound Name RIZATRIPTAN
ChEMBL Synonyms Maxalt-Mlt | MK-A462 | MAXALT-MLT | MAXALT | RIZATRIPTAN | MK-462 | MK-0462 | RIZATRIPTAN SULFATE | RIZATRIPTAN BENZOATE
Max Phase 4 (Approved)
Trade Names MAXALT | RIZATRIPTAN BENZOATE | MAXALT-MLT
Molecular Formula C15H19N5

Additional synonyms for CHEMBL905 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
Standard InChI InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9 ...
Download InChI
Standard InChI Key ULFRLSNUDGIQQP-UHFFFAOYSA-N

Sources

  • British National Formulary
  • 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


CHEMBL905

Molecule Features

CHEMBL905 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Serotonin 1b (5-HT1b) receptor agonist Serotonin 1b (5-HT1b) receptor FDA
Serotonin 1d (5-HT1d) receptor agonist Serotonin 1d (5-HT1d) receptor FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Migraine DisordersD008881EFO:0003821migraine disorder4ClinicalTrials
DailyMed
DailyMed
DailyMed
ATC
ClinicalTrials
Migraine without AuraD020326EFO:0005296migraine without aura3ClinicalTrials
ClinicalTrials
Migraine with AuraD020325EFO:0005295migraine with aura3ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov RIZATRIPTAN
The Cochrane Collaboration RIZATRIPTAN

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 CHEMBL905. 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
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 1.000
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 1.000
CHEMBL2439 Myeloperoxidase Homo sapiens 1.000
CHEMBL6152 Alpha-synuclein Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.989
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.933
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.889
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.865
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.751
CHEMBL1804 Somatostatin receptor 2 Homo sapiens 0.742
CHEMBL3397 Cytochrome P450 2C9 Homo sapiens 0.627
CHEMBL313 Serotonin transporter Rattus norvegicus 0.593
CHEMBL1805 Serotonin 1f (5-HT1f) receptor Homo sapiens 0.511
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.316
CHEMBL3356 Cytochrome P450 1A2 Homo sapiens 0.216



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 1.000
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 1.000
CHEMBL2439 Myeloperoxidase Homo sapiens 1.000
CHEMBL6152 Alpha-synuclein Homo sapiens 1.000
CHEMBL2182 Serotonin 1e (5-HT1e) receptor Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 0.999
CHEMBL1804 Somatostatin receptor 2 Homo sapiens 0.998
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.993
CHEMBL4358 Arachidonate 15-lipoxygenase Oryctolagus cuniculus 0.985
CHEMBL1805 Serotonin 1f (5-HT1f) receptor Homo sapiens 0.981
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.981
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.976
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.970
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.969
CHEMBL4077 Melanocortin receptor 1 Mus musculus 0.870
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.717
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.594
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.575
CHEMBL313 Serotonin transporter Rattus norvegicus 0.477

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
269.4 269.164 1.91 5 49.74 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.49 1.2 -.73 3 20 0.77

Structural Alerts

There are no structural alerts for CHEMBL905

Compound Cross References

ATC N - NERVOUS SYSTEM
N02 - ANALGESICS
N02C - ANTIMIGRAINE PREPARATIONS
N02CC - Selective serotonin (5HT1) agonists
N02CC04 - rizatriptan

ChemSpider ChemSpider:ULFRLSNUDGIQQP-UHFFFAOYSA-N
DailyMed rizatriptan benzoate
PubChem SID: 144205087 SID: 174007052
Wikipedia Rizatriptan

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL905



ACToR 144034-80-0
BindingDB 50033437
ChEBI 48273
ChemicalBook CB3245026
DrugBank DB00953
DrugCentral 2393
eMolecules 902426
EPA CompTox Dashboard DTXSID2023565
FDA SRS 51086HBW8G
Guide to Pharmacology 51
Human Metabolome Database HMDB0015088
IBM Patent System 2117382AA5342F4AA691AC1212EEFAF1
LINCS LSM-3691
Nikkaji J666.053C
PharmGKB PA451264
PubChem 5078
PubChem: Thomson Pharma 15221855
SureChEMBL SCHEMBL26662
ZINC ZINC000000005895

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