Meridianin A; Deoxy, 5,6-dibromo
AlkaPlorer ID: AK085334
Synonym: Meridianin F
IUPAC Name: 4-(5,6-dibromo-1H-indol-3-yl)pyrimidin-2-amine
Structure
SMILES: N=C1N=C(C2=CNC3=C2C=C(Br)C(Br)=C3)C=CN1
InChI: InChI=1S/C12H8Br2N4/c13-8-3-6-7(5-17-11(6)4-9(8)14)10-1-2-16-12(15)18-10/h1-5,17H,(H2,15,16,18)
InChIKey: BYGIRSJUNICQIC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Aplidium | Polyclinidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 368.032
TPSA？: 68.32
MolLogP？: 3.562470000000001
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | cAMP-dependent protein kinase (PKA) | IC50 | 3200.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Casein kinase I | IC50 | nan | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Cyclin-dependent kinase 1/cyclin B | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | 20000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Glycogen synthase kinase-3 beta | IC50 | 2000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | HEp-2 | IC50 | 1800.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | HT-29 | IC50 | nan | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | RD | IC50 | nan | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | U-937 | IC50 | 200.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Mus musculus | LMM3 cell line | IC50 | 1400.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| None | PTP | IC50 | nan | nM | 10.1016/j.bmcl.2004.01.050 |
| None | Unchecked | IC50 | 600.0 | nM | 10.1016/j.bmcl.2004.01.050 |