ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL6437
CHEMBL6437
Compound Name MIANSERIN
ChEMBL Synonyms ORG GB 94 | MIANSERIN | BOLVIDON | NORVAL | MIANSERIN HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names BOLVIDON | NORVAL
Molecular Formula C18H20N2

Additional synonyms for CHEMBL6437 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCN2C(C1)c3ccccc3Cc4ccccc24
Standard InChI InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2- ...
Download InChI
Standard InChI Key UEQUQVLFIPOEMF-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL6437

Molecule Features

CHEMBL6437 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:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DementiaD003704HP:0000726dementia3ClinicalTrials
Depressive DisorderD003866EFO:0003761unipolar depression4ATC
ClinicalTrials
AnxietyD001007EFO:0005230anxiety3ClinicalTrials
SchizophreniaD012559EFO:0000692schizophrenia3ClinicalTrials

Clinical Data

ClinicalTrials.gov MIANSERIN
The Cochrane Collaboration MIANSERIN

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 CHEMBL6437. 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 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.999
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 0.998
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.996
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.994
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.993
CHEMBL1942 Alpha-2b adrenergic receptor Homo sapiens 0.991
CHEMBL222 Norepinephrine transporter Homo sapiens 0.990
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.988
CHEMBL1867 Alpha-2a adrenergic receptor Homo sapiens 0.951



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2056 Dopamine D1 receptor Homo sapiens 1.000
CHEMBL265 Dopamine D1 receptor Rattus norvegicus 1.000
CHEMBL1850 Dopamine D5 receptor Homo sapiens 1.000
CHEMBL217 Dopamine D2 receptor Homo sapiens 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL3223 Serotonin 7 (5-HT7) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL231 Histamine H1 receptor Homo sapiens 0.999
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 0.999
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.998
CHEMBL277 Muscarinic acetylcholine receptor M5 Rattus norvegicus 0.998
CHEMBL234 Dopamine D3 receptor Homo sapiens 0.998
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.997
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.993
CHEMBL228 Serotonin transporter Homo sapiens 0.988

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
264.4 264.1626 3.08 0 6.48 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.26 1.14 .77 2 20 0.72

Structural Alerts

There are no structural alerts for CHEMBL6437

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AX - Other antidepressants
N06AX03 - mianserin

ChemSpider ChemSpider:UEQUQVLFIPOEMF-UHFFFAOYSA-N
PubChem SID: 104171186 SID: 124880671 SID: 144203742 SID: 170465596 SID: 26752015 SID: 50104682 SID: 90341017
Wikipedia Mianserin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL6437



ACToR 24219-97-4
Brenda 75636 167775
ChEBI 51137
DrugBank DB06148
DrugCentral 1796
EPA CompTox Dashboard DTXSID6023317
Guide to Pharmacology 135
Human Metabolome Database HMDB0015620
IBM Patent System 3A458251648252D70EE12B314455AD4B
LINCS LSM-1374
MolPort MolPort-003-849-215
Nikkaji J16.389I
PharmGKB PA134687937
PubChem 4184
PubChem: Thomson Pharma 14848151
SureChEMBL SCHEMBL18020

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