Penilumamide B
AlkaPlorer ID: AK061573
Synonym: None
IUPAC Name: methyl 2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulfanylbutanoyl]amino]benzoate
Structure
SMILES: COC(=O)C1=CC=CC=C1N=C(O)[C@H](CCSC)N=C(O)C1=CN=C2C(=N1)C(=O)N(C)C(=O)N2C
InChI: InChI=1S/C22H24N6O6S/c1-27-17-16(20(31)28(2)22(27)33)24-15(11-23-17)19(30)26-14(9-10-35-4)18(29)25-13-8-6-5-7-12(13)21(32)34-3/h5-8,11,14H,9-10H2,1-4H3,(H,25,29)(H,26,30)/t14-/m0/s1
InChIKey: BOEKMUKDDSBLKQ-AWEZNQCLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 500.53700000000026
TPSA？: 161.26000000000002
MolLogP？: 1.5283
Number of H-Donors: 2
Number of H-Acceptors: 11
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | Activity | None | None | 10.1021/np5001686 |
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np5001686 |
| Homo sapiens | A549 | Activity | None | None | 10.1021/np5001686 |
| Homo sapiens | Acetylcholinesterase | Inhibition | None | % | 10.1021/np5001686 |
| Homo sapiens | HeLa | Activity | None | None | 10.1021/np5001686 |
| Homo sapiens | K562 | Activity | None | None | 10.1021/np5001686 |
| Human alphaherpesvirus 1 | Human alphaherpesvirus 1 | Activity | None | None | 10.1021/np5001686 |
| Kocuria rhizophila | Kocuria rhizophila | Activity | None | None | 10.1021/np5001686 |
| Nocardia brasiliensis | Nocardia brasiliensis | Activity | None | None | 10.1021/np5001686 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | None | None | 10.1021/np5001686 |
| Pseudomonas putida | Pseudomonas putida | Activity | None | None | 10.1021/np5001686 |
| Respiratory syncytial virus | Respiratory syncytial virus | Activity | None | None | 10.1021/np5001686 |
| Salmonella enterica | Salmonella enterica | Activity | None | None | 10.1021/np5001686 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np5001686 |
| Staphylococcus epidermidis | Staphylococcus epidermidis | Activity | None | None | 10.1021/np5001686 |
| Vibrio parahaemolyticus | Vibrio parahaemolyticus | Activity | None | None | 10.1021/np5001686 |
| None | NON-PROTEIN TARGET | Activity | None | None | 10.1021/np5001686 |