Details of the Drug

General Information of Drug (ID: DMOL0O4)

Drug Name

Brevenal

Synonyms

Voltage-gated sodium channel activator inhibitor (natural product, cystic fibrosis), Ocean Therapeutics

Indication

Disease Entry	ICD 11	Status	REF
Cystic fibrosis	CA25	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

Chemical Identifiers

Formula: C39H60O8
Canonical SMILES: CC1CC2C(CC(C3C(O2)CC4C(O3)(CCC5C(O4)CCC(C(O5)CCC=CC=C)(C)O)C)O)(OC1CCC=C(C)C(=CC=O)C)C
InChI: 1S/C39H60O8/c1-8-9-10-11-15-33-37(5,42)19-16-30-31(43-33)17-20-38(6)35(44-30)23-32-36(47-38)28(41)24-39(7)34(45-32)22-27(4)29(46-39)14-12-13-25(2)26(3)18-21-40/h8-10,13,18,21,27-36,41-42H,1,11-12,14-17,19-20,22-24H2,2-7H3/b10-9-,25-13+,26-18+/t27-,28-,29-,30+,31-,32+,33+,34+,35-,36-,37+,38+,39+/m0/s1
InChIKey: JPBOABGEVHVPNM-GFIBHCGLSA-N

Cross-matching ID

References

1	The ChEMBL database in 2017. Nucleic Acids Res. 2017 Jan 4;45(D1):D945-D954.