(Z)-5-(benzyloxy)-4-[(Z)-[(benzyloxy)(hydroxy)methylidene]amino]-N-[3-(benzyloxy)phenyl]-5-oxopentanehydrazonic acid
AlkaPlorer ID: AK134496
Synonym: None
IUPAC Name: benzyl (2S)-5-oxo-2-(phenylmethoxycarbonylamino)-5-[2-(3-phenylmethoxyphenyl)hydrazinyl]pentanoate
Structure
SMILES: O=C(OCC1=CC=CC=C1)[C@H](CCC(O)=NNC1=CC=CC(OCC2=CC=CC=C2)=C1)N=C(O)OCC1=CC=CC=C1
InChI: InChI=1S/C33H33N3O6/c37-31(36-35-28-17-10-18-29(21-28)40-22-25-11-4-1-5-12-25)20-19-30(32(38)41-23-26-13-6-2-7-14-26)34-33(39)42-24-27-15-8-3-9-16-27/h1-18,21,30,35H,19-20,22-24H2,(H,34,39)(H,36,37)/t30-/m0/s1
InChIKey: UNBCLNDLTZGOIX-PMERELPUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lichina pygmaea | Lichina | Lichinaceae | Lichinales | Lichinomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 567.6420000000003
TPSA？: 121.97
MolLogP？: 6.572000000000005
Number of H-Donors: 3
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-375 | IC50 | 28000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | IC50 | 29000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | Inhibition | 73.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Homo sapiens | A-375 | Inhibition | 80.0 | % | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | IC50 | 8000.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | IC50 | 14500.0 | nM | 10.1016/j.bmcl.2010.06.013 |
| Mus musculus | B16 | Inhibition | 100.0 | % | 10.1016/j.bmcl.2010.06.013 |