4-(5-bromo-1H-indol-2-yl)-1,2-dihydropyrimidin-2-imine
AlkaPlorer ID: AK094228
Synonym: None
IUPAC Name: 4-(5-bromo-1H-indol-2-yl)pyrimidin-2-amine
Structure
SMILES: NC1=NC=CC(C2=CC3=CC(Br)=CC=C3N2)=N1
InChI: InChI=1S/C12H9BrN4/c13-8-1-2-9-7(5-8)6-11(16-9)10-3-4-15-12(14)17-10/h1-6,16H,(H2,14,15,17)
InChIKey: GVWACJDKQBKZIF-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 289.136
TPSA？: 67.59
MolLogP？: 2.9696000000000007
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | cAMP-dependent protein kinase (PKA) | IC50 | 1000000.0 | 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 | 160000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Cyclin-dependent kinase 5/CDK5 activator 1 | IC50 | 300000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| Homo sapiens | Glycogen synthase kinase-3 beta | IC50 | 1000000.0 | nM | 10.1016/j.bmcl.2004.01.050 |
| None | Unchecked | IC50 | 1000000.0 | nM | 10.1016/j.bmcl.2004.01.050 |