Leucettamidine
AlkaPlorer ID: AK321967
Synonym: None
IUPAC Name: 5-[4,5-bis(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-yl]imino-2-imino-1,3-dimethylimidazolidin-4-one
Structure
SMILES: CN1C(=N)N(C)/C(=N/C2=NC(CC3=CC=C4OCOC4=C3)=C(CC3=CC=C4OCOC4=C3)N2C)C1=O
InChI: InChI=1S/C25H24N6O5/c1-29-17(9-15-5-7-19-21(11-15)36-13-34-19)16(8-14-4-6-18-20(10-14)35-12-33-18)27-25(29)28-22-23(32)31(3)24(26)30(22)2/h4-7,10-11,26H,8-9,12-13H2,1-3H3/b26-24?,28-22+
InChIKey: RZKRATQHPLTYSI-GQZUJQTPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leucetta microraphis | Leucetta | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 488.5040000000003
TPSA？: 114.5
MolLogP？: 2.42767
Number of H-Donors: 1
Number of H-Acceptors: 9
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Leukotriene B4 receptor 1 | IC50 | 15600.0 | nM | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | Ki | 5300.0 | nM | 10.1021/np50100a005 |