Variolin B
AlkaPlorer ID: AK004949
Synonym: None
IUPAC Name: 13-amino-8-(2-aminopyrimidin-4-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),4,8,10,12-pentaen-6-one
Structure
SMILES: NC1=NC=CC(C2=C3C=CN=C(N)N3C3=NC=CC(O)=C23)=N1
InChI: InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)
InChIKey: RTHKPHCVZVYDFN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Kirkpatrickia | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 293.29
TPSA？: 128.24
MolLogP？: 1.2094999999999998
Number of H-Donors: 3
Number of H-Acceptors: 8
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | Activity | nan | None | 10.1021/np300211x |
| Homo sapiens | 786-0 | IC50 | 100000.0 | nM | 10.1021/np300211x |
| Homo sapiens | A549 | GI50 | 980.0 | nM | 10.1021/jm051090r |
| Homo sapiens | DU-145 | GI50 | 890.0 | nM | 10.1021/jm051090r |
| Homo sapiens | Endothelial PAS domain-containing protein 1 | EC50 | 700.0 | nM | 10.1021/np300211x |
| Homo sapiens | Endothelial PAS domain-containing protein 1 | Inhibition | nan | % | 10.1021/np300211x |
| Homo sapiens | HeLa | GI50 | nan | None | 10.1021/jm051090r |
| Homo sapiens | HMEC | GI50 | 270.0 | nM | 10.1021/jm051090r |
| Homo sapiens | HT-29 | GI50 | 2850.0 | nM | 10.1021/jm051090r |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Inhibition | nan | % | 10.1021/np300211x |
| Homo sapiens | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | Inhibition | nan | % | 10.1021/np300211x |
| Homo sapiens | IGROV-1 | GI50 | 1140.0 | nM | 10.1021/jm051090r |
| Homo sapiens | IGROV-1 | GI50 | 1280.0 | nM | 10.1021/jm051090r |
| Homo sapiens | K562 | GI50 | 1550.0 | nM | 10.1021/jm051090r |
| Homo sapiens | LNCaP | GI50 | 50.0 | nM | 10.1021/jm051090r |
| Homo sapiens | LoVo | GI50 | 800.0 | nM | 10.1021/jm051090r |
| Homo sapiens | LoVo | GI50 | 1020.0 | nM | 10.1021/jm051090r |
| Homo sapiens | PANC-1 | GI50 | 1680.0 | nM | 10.1021/jm051090r |
| Homo sapiens | SK-BR-3 | GI50 | 850.0 | nM | 10.1021/jm051090r |
| Homo sapiens | SK-MEL-28 | GI50 | 1200.0 | nM | 10.1021/jm051090r |
| Homo sapiens | SK-OV-3 | GI50 | 1210.0 | nM | 10.1021/jm051090r |
| None | Molecular identity unknown | Activity | nan | None | 10.1021/np300211x |
| None | NON-PROTEIN TARGET | IC50 | 8800.0 | nM | 10.1021/np300211x |
| None | NON-PROTEIN TARGET | IC50 | 100000.0 | nM | 10.1021/np300211x |
| None | Unchecked | Inhibition | 50.0 | % | 10.1021/np300211x |