N-{2,2,2-trichloro-1-[6-(morpholin-4-yl)-9H-purin-9-yl]ethyl}formamide
AlkaPlorer ID: AK450117
Synonym: None
IUPAC Name: N-[2,2,2-trichloro-1-(6-morpholin-4-ylpurin-9-yl)ethyl]formamide
Structure
SMILES: O=CNC(N1C=NC2=C(N3CCOCC3)N=CN=C21)C(Cl)(Cl)Cl
InChI: InChI=1S/C12H13Cl3N6O2/c13-12(14,15)11(19-7-22)21-6-18-8-9(16-5-17-10(8)21)20-1-3-23-4-2-20/h5-7,11H,1-4H2,(H,19,22)
InChIKey: LVUIFVWYJDJTSK-UHFFFAOYSA-N
Reference
PubChem CID: 3644642
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 379.6349999999999
TPSA？: 85.17
MolLogP？: 1.2777
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 2818.4 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 35481.3 | nM | None |
| Homo sapiens | HEK293 | IC50 | 67533.0 | nM | None |
| Homo sapiens | HepG2 | Potency | 11220.2 | nM | None |
| Homo sapiens | Nuclear receptor subfamily 0 group B member 1 | IC50 | 67533.0 | nM | None |
| Macaca fascicularis | T-complex protein 1 subunit beta | Potency | 10000.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 89125.1 | nM | None |