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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1277001
CHEMBL1277001
Compound Name MIBAMPATOR
ChEMBL Synonyms MIBAMPATOR | LY451395
Max Phase 2
Trade Names
Molecular Formula C21H30N2O4S2

Additional synonyms for CHEMBL1277001 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)S(=O)(=O)NC[C@H](C)c1ccc(cc1)c2ccc(CCNS(=O)(=O)C)cc2
Standard InChI InChI=1S/C21H30N2O4S2/c1-16(2)29(26,27)23-15-17(3)19-9-11-21 ...
Download InChI
Standard InChI Key ULRDYYKSPCRXAJ-KRWDZBQOSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1277001

Molecule Features

CHEMBL1277001 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

Mechanism of Action

Mechanism of Action ChEMBL Target References
Glutamate receptor ionotropic AMPA positive allosteric modulator Glutamate receptor ionotropic AMPA PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Alzheimer DiseaseD000544EFO:0000249Alzheimers disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov MIBAMPATOR
The Cochrane Collaboration MIBAMPATOR

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 CHEMBL1277001. 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
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL4358 Arachidonate 15-lipoxygenase Oryctolagus cuniculus 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.984
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.885
CHEMBL4393 Matrix metalloproteinase 12 Homo sapiens 0.455
CHEMBL3869 Matrix metalloproteinase 14 Homo sapiens 0.451
CHEMBL5855 Serine/threonine-protein kinase Nek1 Homo sapiens 0.218



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL3190 Glutamate receptor ionotropic, AMPA 4 Homo sapiens 1.000
CHEMBL4358 Arachidonate 15-lipoxygenase Oryctolagus cuniculus 1.000
CHEMBL4400 Beta-3 adrenergic receptor Canis lupus familiaris 1.000
CHEMBL213 Beta-1 adrenergic receptor Homo sapiens 1.000
CHEMBL246 Beta-3 adrenergic receptor Homo sapiens 1.000
CHEMBL210 Beta-2 adrenergic receptor Homo sapiens 1.000
CHEMBL4016 Glutamate receptor ionotropic, AMPA 2 Homo sapiens 0.991
CHEMBL333 Matrix metalloproteinase-2 Homo sapiens 0.972
CHEMBL283 Matrix metalloproteinase 3 Homo sapiens 0.806
CHEMBL3156 Thromboxane A2 receptor Rattus norvegicus 0.559
CHEMBL2009 Glutamate receptor ionotropic, AMPA 1 Homo sapiens 0.408
CHEMBL332 Matrix metalloproteinase-1 Homo sapiens 0.334
CHEMBL4393 Matrix metalloproteinase 12 Homo sapiens 0.329
CHEMBL5160 Transient receptor potential cation channel subfamily A member 1 Rattus norvegicus 0.255

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
438.6 438.1647 2.88 10 92.34 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 2 0 6 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.05 - 2.95 2.95 2 29 0.6

Structural Alerts

There are 2 structural alerts for CHEMBL1277001. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ULRDYYKSPCRXAJ-KRWDZBQOSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1277001



BindingDB 50330415
DrugBank DB12717
EPA CompTox Dashboard DTXSID20190977
FDA SRS A9V5BW73UU
IBM Patent System 98AA72F267B329FC71BCC1F29F4A65B2
LINCS LSM-45718
MolPort MolPort-039-139-412
Nikkaji J3.560.858C
PDBe 8SO
PubChem 9889366
PubChem: Thomson Pharma 15201659 14857000
SureChEMBL SCHEMBL3045499
ZINC ZINC000000593414

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