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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL654
CHEMBL654
Compound Name MIRTAZAPINE
ChEMBL Synonyms MIRTAZAPINE | ORG 3770 | REMERON SOLTAB | ZISPIN | REMERON
Max Phase 4 (Approved)
Trade Names REMERON SOLTAB | ZISPIN | REMERON | MIRTAZAPINE
Molecular Formula C17H19N3

Additional synonyms for CHEMBL654 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN2C(C1)c3ccccc3Cc4cccnc24
Standard InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11 ...
Download InChI
Standard InChI Key RONZAEMNMFQXRA-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • 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


CHEMBL654

Molecule Features

CHEMBL654 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Adrenergic receptor alpha-2 antagonist Adrenergic receptor alpha-2 DailyMed
Serotonin 2a (5-HT2a) receptor antagonist Serotonin 2a (5-HT2a) receptor DailyMed
Serotonin 2c (5-HT2c) receptor antagonist Serotonin 2c (5-HT2c) receptor DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DementiaD003704HP:0000726dementia3ClinicalTrials
Nutrition DisordersD009748EFO:0001069nutritional disorder2ClinicalTrials
Pancreatic NeoplasmsD010190EFO:0002618pancreatic carcinoma2ClinicalTrials
Sleep Apnea, ObstructiveD020181EFO:0003918obstructive sleep apnea1ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
Breast NeoplasmsD001943EFO:0000305breast carcinoma3ClinicalTrials
NeoplasmsD009369EFO:0000311cancer2ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
FibromyalgiaD005356EFO:0005687fibromyalgia2ClinicalTrials
Heroin DependenceD006556EFO:0004240heroin dependence3ClinicalTrials
Substance-Related DisordersD019966EFO:0003890drug dependence2ClinicalTrials
Child Development Disorders, PervasiveD002659EFO:0003756autism spectrum disorder3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials
Cocaine-Related DisordersD019970EFO:0002610cocaine dependence2ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression4ATC
ClinicalTrials

Clinical Data

ClinicalTrials.gov MIRTAZAPINE
The Cochrane Collaboration MIRTAZAPINE

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 CHEMBL654. 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
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.998
CHEMBL231 Histamine H1 receptor Homo sapiens 0.997
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.996
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.994
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.992
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.990
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.942
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.907
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.841
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.813
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.790
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.761
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.754
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.681
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.644
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.565
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.438
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.325
CHEMBL6140 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Rattus norvegicus 0.279
CHEMBL3798 Calcitonin gene-related peptide type 1 receptor Homo sapiens 0.278



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL231 Histamine H1 receptor Homo sapiens 0.998
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.998
CHEMBL2056 Dopamine D1 receptor Homo sapiens 0.992
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.992
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.991
CHEMBL4744 Alpha-2a adrenergic receptor Bos taurus 0.982
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.982
CHEMBL4701 Histamine H1 receptor Rattus norvegicus 0.975
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.946
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.944
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.944
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.918
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.910
CHEMBL1916 Alpha-2c adrenergic receptor Homo sapiens 0.795
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.794
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.790
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.575
CHEMBL6140 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A Rattus norvegicus 0.544
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.394
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.377

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
265.4 265.1579 2.48 0 19.37 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.1 .89 .28 2 20 0.73

Structural Alerts

There are no structural alerts for CHEMBL654

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AX - Other antidepressants
N06AX11 - mirtazapine

ChemSpider ChemSpider:RONZAEMNMFQXRA-UHFFFAOYSA-N
DailyMed mirtazapine
PubChem SID: 144204516 SID: 29215050 SID: 49648465
Wikipedia Mirtazapine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL654



ACToR 61337-67-5 85650-52-8
BindingDB 50115644
Brenda 210369
ChEBI 6950
ChemicalBook CB7463387 CB0463388
DrugBank DB00370
DrugCentral 1816
eMolecules 591516
EPA CompTox Dashboard DTXSID0023325
Guide to Pharmacology 7241
Human Metabolome Database HMDB0014514
IBM Patent System 1BDD6A8749746B6C9440706A9DAA5CC1
KEGG Ligand C07570
LINCS LSM-1706
Mcule MCULE-1174883554
MolPort MolPort-003-849-233
NIH Clinical Collection SAM001246659
Nikkaji J22.953I
PharmGKB PA450522
PubChem 4205
PubChem: Drugs of the Future 12013213
PubChem: Thomson Pharma 14848184
Selleck mirtazapine-remeron-avanza
SureChEMBL SCHEMBL35408

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