Cyclo(D-N-methyl-Leu-L-Trp)
AlkaPlorer ID: AK057205
Synonym: None
IUPAC Name: (3S,6R)-3-(1H-indol-3-ylmethyl)-1-methyl-6-(2-methylpropyl)piperazine-2,5-dione
Structure
SMILES: CC(C)C[C@@H]1C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N1C
InChI: InChI=1S/C18H23N3O2/c1-11(2)8-16-17(22)20-15(18(23)21(16)3)9-12-10-19-14-7-5-4-6-13(12)14/h4-7,10-11,15-16,19H,8-9H2,1-3H3,(H,20,22)/t15-,16+/m0/s1
InChIKey: ZXMLGZPFSBKFTE-JKSUJKDBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Leptoxyphium sp. | Leptoxyphium | Capnodiaceae | Capnodiales | Dothideomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 313.40100000000007
TPSA？: 68.69
MolLogP？: 2.922200000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IC50 | 31000.0 | nM | 10.1021/np050141k |
| Homo sapiens | C-C chemokine receptor type 2 | Inhibition | nan | % | 10.1021/np800745r |
| Homo sapiens | CCRF-CEM | IC50 | 31000.0 | nM | 10.1021/np050141k |
| None | ADMET | Activity | nan | None | 10.1021/np800745r |