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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL111659
CHEMBL111659
Compound Name ALTINICLINE
ChEMBL Synonyms SIB-1508Y | Altinicline Maleate | Altinicline
Max Phase 0
Trade Names
Molecular Formula C12H14N2

Additional synonyms for CHEMBL111659 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN1CCC[C@H]1c2cncc(c2)C#C
Standard InChI InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1 ...
Download InChI
Standard InChI Key NUPUDYKEEJNZRG-LBPRGKRZSA-N

Molecule Features

CHEMBL111659 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 2 structural alerts for CHEMBL111659. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL111659

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 CHEMBL111659. 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
CHEMBL3916 Acetylcholine receptor protein delta chain Torpedo californica 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3916 Acetylcholine receptor protein delta chain Torpedo californica 1.000
CHEMBL2492 Neuronal acetylcholine receptor protein alpha-7 subunit Homo sapiens 0.717

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
186.3 186.1157 2.37 1 16.13 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 7.83 1.21 .18 1 14 0.63

Compound Cross References

ChemSpider ChemSpider:NUPUDYKEEJNZRG-LBPRGKRZSA-N
Wikipedia Altinicline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL111659



ACToR 179120-92-4
BindinDB 50052593
eMolecules 31592689
FDA SRS RJ9V9V09VM
IBM Patent System 7C6300392F76B3F64319462511CE0A95
IBM Patents US7132545 WO2003034980A2 US20070232529 US20050113336 US20080132486 US20070021469 US20090253792 EP1490090A2 US20040063628 US20080154041 US7553968 US6995265 US7427600 US20060041135 US20090306228 US20090234129 US7060708 WO2003079972A2 EP2266590A2 US7361768
Nikkaji J763.592C
PubChem 3036156
PubChem: Thomson Pharma 15120726 14772840
SureChEMBL SCHEMBL1155703

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