Z160

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Synonyms
Status
Molecule Category Free-form
UNII TX3R141LEP
EPA CompTox DTXSID70407284

Structure

InChI Key VCPMZDWBEWTGNW-UHFFFAOYSA-N
Smiles O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChI
InChI=1S/C32H32N2O/c35-31(25-30(26-13-5-1-6-14-26)27-15-7-2-8-16-27)33-21-23-34(24-22-33)32(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,30,32H,21-25H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H32N2O
Molecular Weight 460.62
AlogP 6.14
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated N-type calcium channel alpha-1B subunit blocker BLOCKER PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- 110-110 - - -
Auxiliary transport protein Calcium channel auxiliary subunit beta family
- 110 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 24.8
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 110-110 - - -
Unclassified protein
- 110 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 24.8
Rattus norvegicus
- 110 - - -

Target Conservation

Protein: Voltage-gated N-type calcium channel alpha-1B subunit
Description: Voltage-dependent N-type calcium channel subunit alpha-1B
Organism : Homo sapiens
Q00975 ENSG00000148408

Cross References

Resources Reference
ChEMBL CHEMBL604710
DrugBank DB12743
FDA SRS TX3R141LEP
Guide to Pharmacology 7765
SureChEMBL SCHEMBL4180792
ZINC ZINC000020509316
CONTENTS