Z160

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: TX3R141LEP

Structure
InChI Key VCPMZDWBEWTGNW-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 23.55
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated N-type calcium channel alpha-1B subunit blocker PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Calcium channel auxiliary subunit alpha2delta family
- 110 - - -
Auxiliary transport protein Calcium channel auxiliary subunit beta family
- 110 - - -
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- - - - 25
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 110 - - -
Unclassified protein
- 110 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Radiculopathy 2 D011843 ClinicalTrials
Neuralgia, Postherpetic 2 D051474 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL604710
DrugBank DB12743
EPA CompTox DTXSID70407284
FDA SRS TX3R141LEP
Guide to Pharmacology 7765
SureChEMBL SCHEMBL4180792
ZINC ZINC000020509316
CONTENTS