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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL134641
CHEMBL134641
Compound Name SABCOMELINE
ChEMBL Synonyms SABCOMELINE HYDROCHLORIDE | SB-202026 | SABCOMELINE | SB-202026-A
Max Phase 0
Trade Names
Molecular Formula C10H15N3O

Additional synonyms for CHEMBL134641 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CO\N=C(/C#N)\[C@H]1CN2CCC1CC2
Standard InChI InChI=1S/C10H15N3O/c1-14-12-10(6-11)9-7-13-4-2-8(9)3-5-13/h8 ...
Download InChI
Standard InChI Key IQWCBYSUUOFOMF-QTLFRQQHSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL134641

Molecule Features

CHEMBL134641 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 SABCOMELINE
The Cochrane Collaboration SABCOMELINE

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 CHEMBL134641. 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
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 0.999
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.999
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.996
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.996
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.991
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 0.991
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.942
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 0.497
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.293



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL211 Muscarinic acetylcholine receptor M2 Homo sapiens 1.000
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 0.998
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.994
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.986
CHEMBL3068 Neuronal acetylcholine receptor subunit alpha-3 Homo sapiens 0.979
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.974
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.972
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 0.968
CHEMBL4980 Neuronal acetylcholine receptor protein alpha-7 subunit Rattus norvegicus 0.237
CHEMBL289 Cytochrome P450 2D6 Homo sapiens 0.201

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
193.3 193.1215 0.63 2 48.62 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.12 1.39 .6 0 14 0.48

Structural Alerts

There are 7 structural alerts for CHEMBL134641. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:IQWCBYSUUOFOMF-QTLFRQQHSA-N
Wikipedia Sabcomeline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL134641



ACToR 159912-53-5
BindingDB 50061705
ChEBI 134846
DrugCentral 3536
FDA SRS P8P92V596C
Guide to Pharmacology 306
Nikkaji J757.343J J915.265B
PubChem 9577995
PubChem: Thomson Pharma 16130884 15265967 15195381
SureChEMBL SCHEMBL3838658

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