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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 SB-202026 | Sabcomeline HCl | 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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL134641

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
CHEMBL245 Muscarinic acetylcholine receptor M3 Homo sapiens 1.000
CHEMBL309 Muscarinic acetylcholine receptor M2 Rattus norvegicus 1.000
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.998
CHEMBL216 Muscarinic acetylcholine receptor M1 Homo sapiens 0.997
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.995
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.989
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.982
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 0.860
CHEMBL2672 Muscarinic acetylcholine receptor M1 Bos taurus 0.232



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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.985
CHEMBL5498 Muscarinic acetylcholine receptor M3 Cavia porcellus 0.983
CHEMBL276 Muscarinic acetylcholine receptor M1 Rattus norvegicus 0.982
CHEMBL320 Muscarinic acetylcholine receptor M3 Rattus norvegicus 0.941
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 0.790

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

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
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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