GALLOPAMIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C08DA02
UNII: 39WPC8JHR8

Structure
InChI Key XQLWNAFCTODIRK-UHFFFAOYSA-N
Smile COc1ccc(CCN(C)CCCC(C#N)(c2cc(OC)c(OC)c(OC)c2)C(C)C)cc1OC
InChI
InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H40N2O5
Molecular Weight 484.64
AlogP 5.1
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 14.0
Polar Surface Area 73.18
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 35.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated calcium channel
- 11 - 5 -
Ion channel Voltage-gated ion channel Voltage-gated sodium channel
- 3600 - - 67

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 34772
ChEMBL CHEMBL51149
DrugBank DB12923
DrugCentral 1275
EPA CompTox DTXSID5045172
FDA SRS 39WPC8JHR8
KEGG C13764
PubChem 1234
SureChEMBL SCHEMBL49428
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