Rhazinicine
AlkaPlorer ID: AK100222
Synonym: None
IUPAC Name: (12S)-12-ethyl-8,16-diazatetracyclo[10.6.1.02,7.016,19]nonadeca-1(19),2,4,6,17-pentaene-9,15-dione
Structure
SMILES: CC[C@]12CCC(=O)N3C=CC(=C31)C1=CC=CC=C1N=C(O)CC2
InChI: InChI=1S/C19H20N2O2/c1-2-19-10-7-16(22)20-15-6-4-3-5-13(15)14-9-12-21(18(14)19)17(23)8-11-19/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,20,22)/t19-/m0/s1
InChIKey: TXWKUWXSHGUINF-IBGZPJMESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Kopsia singapurensis | Kopsia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 308.3810000000001
TPSA？: 54.59
MolLogP？: 4.618700000000003
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 4060.0 | nM | 10.1021/np0703747 |
| None | ADMET | IC50 | 3000.0 | nM | 10.1016/S0960-894X(97)00391-0 |
| None | NON-PROTEIN TARGET | IC50 | 6010.0 | nM | 10.1021/np0703747 |
| None | NON-PROTEIN TARGET | IC50 | 8120.0 | nM | 10.1021/np0703747 |
| None | Unchecked | Ratio | 10.0 | None | 10.1016/S0960-894X(97)00391-0 |