AZD7009

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Synonyms
Status
Molecule Category Free-form
EPA CompTox DTXSID40235551

Structure

InChI Key JRHUUZPSMQIWBQ-PELRDEGISA-N
Smiles CC(C)(C)OC(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2
InChI
InChI=1S/C23H34N4O5/c1-23(2,3)32-22(29)25-8-9-26-12-20-14-27(15-21(13-26)31-20)11-18(28)16-30-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,25,29)/t18-,20?,21?/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C23H34N4O5
Molecular Weight 446.55
AlogP 1.21
Hydrogen Bond Acceptor 8.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 107.29
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
HERG blocker BLOCKER PubMed

Target Conservation

Protein: HERG
Description: Potassium voltage-gated channel subfamily H member 2
Organism : Homo sapiens
Q12809 ENSG00000055118
Protein: Sodium channel protein type V alpha subunit
Description: Sodium channel protein type 5 subunit alpha
Organism : Homo sapiens
Q14524 ENSG00000183873

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL3545040
SureChEMBL SCHEMBL2966851
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