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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL62919
CHEMBL62919
Compound Name ALTANSERIN
ChEMBL Synonyms R-53,200 | ALTANSERIN | ALTANSERIN TARTRATE
Max Phase 0
Trade Names
Molecular Formula C22H22FN3O2S

Additional synonyms for CHEMBL62919 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Fc1ccc(cc1)C(=O)C2CCN(CCN3C(=S)Nc4ccccc4C3=O)CC2
Standard InChI InChI=1S/C22H22FN3O2S/c23-17-7-5-15(6-8-17)20(27)16-9-11-25( ...
Download InChI
Standard InChI Key SMYALUSCZJXWHG-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL62919

Molecule Features

CHEMBL62919 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov ALTANSERIN
The Cochrane Collaboration ALTANSERIN

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 CHEMBL62919. 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
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 0.998
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.682
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 0.522
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.355

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL324 Serotonin 2c (5-HT2c) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 0.998
CHEMBL4641 Voltage-gated T-type calcium channel alpha-1G subunit Homo sapiens 0.921
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.283

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
411.5 411.1417 4.36 5 84.74 NEUTRAL


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
11.24 7.8 3.71 3.21 2 29 0.59

Structural Alerts

There are 5 structural alerts for CHEMBL62919. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SMYALUSCZJXWHG-UHFFFAOYSA-N
PubChem SID: 11114223
Wikipedia Altanserin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL62919



ACToR 76330-71-7
BindingDB 50113332
ChEBI 2613
EPA CompTox Dashboard DTXSID5043891
FDA SRS 5015H744JQ
IBM Patent System 6F1092DCBEC6A2C747884A64198DAB1B
KEGG Ligand C11734
LINCS LSM-1987
Nikkaji J32.855C
PubChem 3033677
PubChem: Thomson Pharma 14855384
SureChEMBL SCHEMBL404849
ZINC ZINC000026174383

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