CHEMBL4204057
General
Type : Natural_modified, Alkaloid, Benzodioxo, Phenanthridinium, Phenanthrene, Indole
Chemical_Nomenclature : 23-(1H-indol-3-yl)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(13),2,4(8),9,11,14(22),15,17(21)-octaene
Canonical SMILES : CN1C(C2=C(C=CC3=C2OCO3)C4=C1C5=CC6=C(C=C5C=C4)OCO6)C7=CNC8=CC=CC=C87
InChI : InChI=1S\/C28H20N2O4\/c1-30-26-18(7-6-15-10-23-24(11-19(15)26)33-13-32-23)17-8-9-22-28(34-14-31-22)25(17)27(30)20-12-29-21-5-3-2-4-16(20)21\/h2-12,27,29H,13-14H2,1H3
InChIKey : XUNPDYDBPXFHSG-UHFFFAOYSA-N
Other name(s) : Compound 1a || SCHEMBL30012764 || Indol-dihydrosanguinarine-Cpd1a || 6-(1H-indol-3-il)-5,6-dihydrosanguinarine
MW : 448.5
Formula : C28H20N2O4
CAS_number :
PubChem : 145968679
UniChem : XUNPDYDBPXFHSG-UHFFFAOYSA-N
Target
Families : CHEMBL4204057 ligand of proteins in family
Thioesterase
Protein :
myctu-PKS13
References (1)
| Title : Cytotoxic, Antibacterial, and in Silico Pks13 Inhibitory Properties of Indole-Coupled Dihydrobenzo[c]phenanthridines - Gallegos-Alvarado_2025_ChemMedChem_20_e202500146 |
| Author(s) : Gallegos-Alvarado RM , Romo-Perez A , Miranda LD , Del Rayo Camacho-Corona M , Duenas-Gonzalez A , Kirchmair J , Garcia A |
| Ref : ChemMedChem , 20 :e202500146 , 2025 |
| Abstract : |
| PubMedSearch : Gallegos-Alvarado_2025_ChemMedChem_20_e202500146 |
| PubMedID: 40789578 |