Latonduine A
AlkaPlorer ID: AK041661
Synonym: None
IUPAC Name: 12-amino-3,4-dibromo-5,8,11,13-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),3,10,12-pentaen-7-one
Structure
SMILES: NC1=NC=C2C(=N1)CNC(=O)C1=C2C(Br)=C(Br)N1
InChI: InChI=1S/C10H7Br2N5O/c11-6-5-3-1-15-10(13)16-4(3)2-14-9(18)7(5)17-8(6)12/h1,17H,2H2,(H,14,18)(H2,13,15,16)
InChIKey: GGCJGNBVVMDYKM-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Stylissa carteri | Stylissa | Axinellidae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 373.008
TPSA？: 96.69
MolLogP？: 1.8223
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Mono [ADP-ribose] polymerase PARP16 | IC50 | 427.0 | nM | 10.1021/acs.jmedchem.2c00281 |
| Homo sapiens | Poly [ADP-ribose] polymerase 3 | IC50 | 3400.0 | nM | 10.1021/acs.jmedchem.2c00281 |
| Mus musculus | L5178Y | EC50 | 9.0 | ug.mL-1 | 10.1016/j.ejmech.2021.113445 |