Leucettamine A
AlkaPlorer ID: AK052694
Synonym: 4,5-Bis(1,3-benzodioxol-5-ylmethyl)-1-methyl-1H-imidazol-2-amine
IUPAC Name: 4,5-bis(1,3-benzodioxol-5-ylmethyl)-1-methylimidazol-2-amine
Structure
SMILES: CN1C(CC2=CC=C3OCOC3=C2)=C(CC2=CC=C3OCOC3=C2)NC1=N
InChI: InChI=1S/C20H19N3O4/c1-23-15(7-13-3-5-17-19(9-13)27-11-25-17)14(22-20(23)21)6-12-2-4-16-18(8-12)26-10-24-16/h2-5,8-9H,6-7,10-11H2,1H3,(H2,21,22)
InChIKey: CHUHMZZQHYOKBF-UHFFFAOYSA-N
Reference
PubChem CID: 10021742
LOTUS: LTS0176854
SuperNatural Ⅲ: SN0046090
NPASS: NPC292003
COCONUT: CNP0341653
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Leucetta microraphis | Leucetta | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 365.38900000000007
TPSA？: 81.49000000000001
MolLogP？: 2.47167
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Leukotriene B4 receptor 1 | Activity | nan | None | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | IC50 | 750.0 | nM | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | IC50 | 4000.0 | nM | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | IC50 | 4600.0 | nM | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | Ki | 1300.0 | nM | 10.1021/np50100a005 |
| Homo sapiens | Leukotriene B4 receptor 1 | Ki | 3500.0 | nM | 10.1021/jm00074a014 |
| Homo sapiens | U-937 | IC50 | 5200.0 | nM | 10.1021/jm00074a014 |