AZD1305

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Synonyms
Status
Molecule Category Free-form
UNII CZO834LXQM

Structure

InChI Key BLLNYXOLLAVTRF-UHFFFAOYSA-N
Smiles CC(C)(C)OC(=O)NCCN1CC2CN(CCOc3ccc(C#N)cc3F)CC(C1)O2
InChI
InChI=1S/C22H31FN4O4/c1-22(2,3)31-21(28)25-6-7-26-12-17-14-27(15-18(13-26)30-17)8-9-29-20-5-4-16(11-24)10-19(20)23/h4-5,10,17-18H,6-9,12-15H2,1-3H3,(H,25,28)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H31FN4O4
Molecular Weight 434.51
AlogP 1.99
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 87.06
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 31.0

Pharmacology

Mechanism of Action Action Reference
HERG blocker BLOCKER PubMed PubMed Wikipedia

Target Conservation

Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: HERG
Description: Potassium voltage-gated channel subfamily H member 2
Organism : Homo sapiens
Q12809 ENSG00000055118
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067
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 CHEMBL3545169
FDA SRS CZO834LXQM
SureChEMBL SCHEMBL3120188
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