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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL276520
CHEMBL276520
Compound Name INDALPINE
ChEMBL Synonyms INDALPINE | LM-5008
Max Phase 4 (Approved)
Withdrawn Yes
Trade Names
Molecular Formula C15H20N2

Additional synonyms for CHEMBL276520 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C(Cc1c[nH]c2ccccc12)C3CCNCC3
Standard InChI InChI=1S/C15H20N2/c1-2-4-15-14(3-1)13(11-17-15)6-5-12-7-9-16 ...
Download InChI
Standard InChI Key SADQVAVFGNTEOD-UHFFFAOYSA-N

Sources

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  • Withdrawn Drugs

Alternate Forms of Compound in ChEMBL


CHEMBL276520

Molecule Features

CHEMBL276520 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Withdrawn

Withdrawal Information

Year 1985
Country France
Reason Agranulocytosis

Clinical Data

ClinicalTrials.gov INDALPINE
The Cochrane Collaboration INDALPINE

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 CHEMBL276520. 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
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL1804 Somatostatin receptor 2 Homo sapiens 1.000
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 1.000
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 1.000
CHEMBL2854 Cholecystokinin B receptor Mus musculus 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 0.999
CHEMBL5407 Serine/threonine-protein kinase PIM3 Homo sapiens 0.997
CHEMBL2439 Myeloperoxidase Homo sapiens 0.994
CHEMBL4080 Bombesin receptor subtype-3 Homo sapiens 0.994
CHEMBL3636 Neuromedin B receptor Homo sapiens 0.989
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.988
CHEMBL3426 Serotonin 5a (5-HT5a) receptor Homo sapiens 0.988
CHEMBL3371 Serotonin 6 (5-HT6) receptor Homo sapiens 0.985
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.984
CHEMBL4616 Ghrelin receptor Homo sapiens 0.983
CHEMBL4523 Serine/threonine-protein kinase PIM2 Homo sapiens 0.982
CHEMBL224 Serotonin 2a (5-HT2a) receptor Homo sapiens 0.982
CHEMBL2527 Serine/threonine-protein kinase Chk2 Homo sapiens 0.976



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4077 Melanocortin receptor 1 Mus musculus 1.000
CHEMBL313 Serotonin transporter Rattus norvegicus 1.000
CHEMBL1898 Serotonin 1b (5-HT1b) receptor Homo sapiens 1.000
CHEMBL228 Serotonin transporter Homo sapiens 1.000
CHEMBL1983 Serotonin 1d (5-HT1d) receptor Homo sapiens 1.000
CHEMBL1804 Somatostatin receptor 2 Homo sapiens 1.000
CHEMBL2854 Cholecystokinin B receptor Mus musculus 1.000
CHEMBL4608 Melanocortin receptor 5 Homo sapiens 1.000
CHEMBL3459 Serotonin 1b (5-HT1b) receptor Rattus norvegicus 1.000
CHEMBL214 Serotonin 1a (5-HT1a) receptor Homo sapiens 1.000
CHEMBL3636 Neuromedin B receptor Homo sapiens 1.000
CHEMBL2439 Myeloperoxidase Homo sapiens 1.000
CHEMBL3426 Serotonin 5a (5-HT5a) receptor Homo sapiens 1.000
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.999
CHEMBL4105 Serotonin 1d (5-HT1d) receptor Sus scrofa 0.998
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.998
CHEMBL1917 Somatostatin receptor 1 Homo sapiens 0.998
CHEMBL2996 Protein kinase C delta Homo sapiens 0.998
CHEMBL5407 Serine/threonine-protein kinase PIM3 Homo sapiens 0.998
CHEMBL1805 Serotonin 1f (5-HT1f) receptor Homo sapiens 0.998

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
228.3 228.1626 3.19 3 27.82 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
1 2 0 2 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.69 3.06 .18 2 17 0.83

Structural Alerts

There are no structural alerts for CHEMBL276520

Compound Cross References

ChemSpider ChemSpider:SADQVAVFGNTEOD-UHFFFAOYSA-N
Wikipedia Indalpine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL276520



ACToR 63758-79-2
BindingDB 50029150
ChEBI 134939
DrugBank DB08953
DrugCentral 1432
eMolecules 33510893
EPA CompTox Dashboard DTXSID80213196
FDA SRS V35562QSVT
IBM Patent System 21E39FC82ECA469D9E6187429461148C 9AD4E772CFFC43044BD7AD24BEA94FAB
Nikkaji J19.462J
PubChem 44668
PubChem: Thomson Pharma 15220628
SureChEMBL SCHEMBL49135
ZINC ZINC000004674528

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