Probestin
AlkaPlorer ID: AK028577
Synonym: '', 'Probestin'
IUPAC Name: (2S)-1-[(2S)-1-[(2S)-2-[[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
Structure
SMILES: CC(C)C[C@H](N=C(O)[C@@H](O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O
InChI: InChI=1S/C26H38N4O6/c1-16(2)14-19(28-23(32)22(31)18(27)15-17-8-4-3-5-9-17)24(33)29-12-6-10-20(29)25(34)30-13-7-11-21(30)26(35)36/h3-5,8-9,16,18-22,31H,6-7,10-15,27H2,1-2H3,(H,28,32)(H,35,36)/t18-,19+,20+,21+,22+/m1/s1
InChIKey: CEQMEILRVSCKGT-FXTUREPZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces azureus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 502.6120000000004
TPSA？: 156.76
MolLogP？: 1.355100000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Aminopeptidase N | Ki | 19.0 | nM | 10.1016/j.bmcl.2013.04.031 |
| Homo sapiens | MDA-MB-435 | Inhibition | nan | % | 10.1016/j.bmcl.2013.04.031 |
| Mus musculus | Mus musculus | Activity | nan | None | 10.1016/j.bmcl.2013.04.031 |
| Mus musculus | Mus musculus | LD50 | 250.0 | mg.kg-1 | 10.1016/j.bmcl.2013.04.031 |
| Mus musculus | Mus musculus | MTD | 300.0 | mg kg-1 | 10.1016/j.bmcl.2013.04.031 |
| Sus scrofa | Aminopeptidase N | Ratio IC50 | 50.0 | None | 10.1016/j.bmcl.2011.12.048 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmcl.2013.04.031 |
| None | NON-PROTEIN TARGET | Inhibition | nan | % | 10.1016/j.bmcl.2013.04.031 |