Lissoclinidine; N-De-Ac
AlkaPlorer ID: AK042975
Synonym: Lissoclinidine B
IUPAC Name: 2-(6-oxa-4-thia-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1,3(7),8,10,12(20),13,15,17-octaen-2-yl)ethanamine
Structure
SMILES: NCCC1=C2SCOC2=C2N=CC=C3C4=CC=CC=C4NC1=C32
InChI: InChI=1S/C18H15N3OS/c19-7-5-12-15-14-11(10-3-1-2-4-13(10)21-15)6-8-20-16(14)17-18(12)23-9-22-17/h1-4,6,8,21H,5,7,9,19H2
InChIKey: TWEAHXLHBWIDGZ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
| None | Lissoclinum | Didemnidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 321.4050000000001
TPSA？: 60.17
MolLogP？: 3.902000000000002
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | p53-binding protein Mdm-2 | Activity | nan | None | 10.1016/j.bmc.2008.10.024 |
| Homo sapiens | p53-binding protein Mdm-2 | IC50 | 58600.0 | nM | 10.1016/j.bmc.2008.10.024 |
| Homo sapiens | U2OS | Activity | nan | None | 10.1016/j.bmc.2008.10.024 |
| Mus musculus | A9 | Activity | nan | None | 10.1016/j.bmc.2008.10.024 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2008.10.024 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmc.2008.10.024 |