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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL189676
CHEMBL189676
Compound Name SURINABANT
ChEMBL Synonyms SR-147778 | Surinabant
Max Phase 2
Trade Names
Molecular Formula C23H23BrCl2N4O

Additional synonyms for CHEMBL189676 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(Br)cc3)C(=O)NN4CCCCC4
Standard InChI InChI=1S/C23H23BrCl2N4O/c1-2-18-21(23(31)28-29-12-4-3-5-13-2 ...
Download InChI
Standard InChI Key HMXDWDSNPRNUKI-UHFFFAOYSA-N

Molecule Features

CHEMBL189676 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule 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 4 structural alerts for CHEMBL189676. To view alerts please click here.

Alternate Forms of Compound in ChEMBL


CHEMBL189676

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 CHEMBL189676. 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
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 1.000
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 1.000
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 1.000
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 1.000
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3037 Cannabinoid CB1 receptor Mus musculus 1.000
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 1.000
CHEMBL5373 Cannabinoid CB2 receptor Mus musculus 1.000
CHEMBL3571 Cannabinoid CB1 receptor Rattus norvegicus 1.000
CHEMBL253 Cannabinoid CB2 receptor Homo sapiens 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
522.3 520.0432 7.15 5 50.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 2 5 1 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.3 3.22 5.53 5.53 3 31 0.39

Compound Cross References

ChemSpider ChemSpider:HMXDWDSNPRNUKI-UHFFFAOYSA-N
PubChem SID: 144210559
Wikipedia Surinabant

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL189676



ACToR 288104-79-0
BindingDB 50171290
ChEBI 125484
EPA CompTox Dashboard DTXSID2047357
FDA SRS SF8R9VCB0X
IBM Patent System F2FB90C15BF24E9ED52FAB07A8EC88A6
LINCS LSM-36982
Nikkaji J2.548.517C
PubChem 9849616
PubChem: Thomson Pharma 14811710
SureChEMBL SCHEMBL675894

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