Verongamine
AlkaPlorer ID: AK318389
Synonym: None
IUPAC Name: (2Z)-3-(3-bromo-4-methoxyphenyl)-2-hydroxyimino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Structure
SMILES: COC1=CC=C(C/C(=N\O)C(O)=NCCC2=CN=CN2)C=C1Br
InChI: InChI=1S/C15H17BrN4O3/c1-23-14-3-2-10(6-12(14)16)7-13(20-22)15(21)18-5-4-11-8-17-9-19-11/h2-3,6,8-9,22H,4-5,7H2,1H3,(H,17,19)(H,18,21)/b20-13+
InChIKey: MFMMJKGZEGTTSV-DEDYPNTBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Verongula gigantea | Verongula | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 381.23
TPSA？: 103.09
MolLogP？: 2.752700000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Cavia porcellus | Histamine H3 receptor | Activity | nan | None | 10.1021/np50103a029 |
| Cavia porcellus | Histamine H3 receptor | IC50 | 500.0 | nM | 10.1021/np50103a029 |
| Cavia porcellus | Histamine H3 receptor | IC50 | 830.0 | nM | 10.1021/jm8003625 |
| Rattus norvegicus | Histamine H3 receptor | Ki | 0.5 | nM | 10.1016/s0960-894x(98)00181-4 |