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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL274047
CHEMBL274047
Compound Name TANDOSPIRONE
ChEMBL Synonyms Tandospirone hydrochloride | TANDOSPIRONE CITRATE | Tandospirone | Sediel | Metanopirone | SM-3997
Max Phase 0
Trade Names
Molecular Formula C21H29N5O2

Additional synonyms for CHEMBL274047 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1CCCCN4CCN(CC4)c5nc ...
Download SMILES
Standard InChI InChI=1S/C21H29N5O2/c27-19-17-15-4-5-16(14-15)18(17)20(28)26 ...
Download InChI
Standard InChI Key CEIJFEGBUDEYSX-FZDBZEDMSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL274047

Molecule Features

CHEMBL274047 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov TANDOSPIRONE
The Cochrane Collaboration TANDOSPIRONE

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 CHEMBL274047. 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
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 1.000
CHEMBL3737 Serotonin 1a (5-HT1a) receptor Mus musculus 1.000
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.999
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.993
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.992
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.991
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.978
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.973
CHEMBL232 Alpha-1b adrenergic receptor Homo sapiens 0.953
CHEMBL3427 Dopamine D2 receptor Mus musculus 0.852
CHEMBL287 Sigma opioid receptor Homo sapiens 0.795
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 0.738
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.639
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.586
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.526
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.506



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL273 Serotonin 1a (5-HT1a) receptor Rattus norvegicus 1.000
CHEMBL339 Dopamine D2 receptor Rattus norvegicus 1.000
CHEMBL322 Serotonin 2a (5-HT2a) receptor Rattus norvegicus 1.000
CHEMBL3361 Dopamine D4 receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL3737 Serotonin 1a (5-HT1a) receptor Mus musculus 1.000
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.998
CHEMBL219 Dopamine D4 receptor Homo sapiens 0.998
CHEMBL319 Alpha-1a adrenergic receptor Rattus norvegicus 0.998
CHEMBL4892 Alpha-1a adrenergic receptor Bos taurus 0.998
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.996
CHEMBL3155 Serotonin 7 (5-HT7) receptor Homo sapiens 0.987
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.971
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.944
CHEMBL3446 Serotonin 2a (5-HT2a) receptor Bos taurus 0.930
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.929
CHEMBL3998 Dopamine D2 receptor Bos taurus 0.919
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.873
CHEMBL2411 Serotonin 3a (5-HT3a) receptor Rattus norvegicus 0.838
CHEMBL287 Sigma opioid receptor Homo sapiens 0.829

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
383.5 383.2321 1.41 6 69.64 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 0 7 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.71 1.09 .73 1 28 0.55

Structural Alerts

There are 5 structural alerts for CHEMBL274047. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:CEIJFEGBUDEYSX-FZDBZEDMSA-N
PubChem SID: 144206869
Wikipedia Tandospirone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL274047



ACToR 87760-53-0
BindingDB 50099385 50368723
ChEBI 32182
DrugBank DB12833
DrugCentral 2563
eMolecules 28204179
EPA CompTox Dashboard DTXSID6048836
FDA SRS 190230I669
Guide to Pharmacology 55
MolPort MolPort-005-940-733
Nikkaji J353.759E
PubChem 91273
PubChem: Thomson Pharma 14927276
SureChEMBL SCHEMBL49026
ZINC ZINC000001545034

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