(2S)-1-[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
AlkaPlorer ID: AK322130
Synonym: None
IUPAC Name: 1-[3,4-bis(4-hydroxyphenyl)pyrrol-1-yl]-2-hydroxy-2-(4-hydroxyphenyl)ethanone
Structure
SMILES: O=C(C(O)C1=CC=C(O)C=C1)N1C=C(C2=CC=C(O)C=C2)C(C2=CC=C(O)C=C2)=C1
InChI: InChI=1S/C24H19NO5/c26-18-7-1-15(2-8-18)21-13-25(14-22(21)16-3-9-19(27)10-4-16)24(30)23(29)17-5-11-20(28)12-6-17/h1-14,23,26-29H
InChIKey: RYIBSKICTMDCHH-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 401.4180000000001
TPSA？: 102.92
MolLogP？: 4.312700000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HeLa | Activity | nan | None | 10.1016/j.bmcl.2021.128338 |
| Homo sapiens | HeLa | Inhibition | nan | % | 10.1016/j.bmcl.2021.128338 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | IC50 | 23000.0 | nM | 10.1016/j.bmcl.2021.128338 |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Inhibition | nan | % | 10.1016/j.bmcl.2021.128338 |
| Homo sapiens | T47D | Activity | -8.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | 20.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | 33.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | 34.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | 87.0 | % | 10.1021/np070206e |
| Homo sapiens | T47D | Activity | nan | None | 10.1021/np070206e |
| Mus musculus | 4T1 | Activity | nan | None | 10.1016/j.bmcl.2021.128338 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmcl.2021.128338 |
| None | Unchecked | Activity | nan | None | 10.1021/np070206e |
| None | Unchecked | IC50 | 1900.0 | nM | 10.1021/np070206e |
| None | Unchecked | IC50 | 3700.0 | nM | 10.1021/np070206e |
| None | Unchecked | Inhibition | 98.0 | % | 10.1021/np070206e |
| None | Unchecked | Inhibition | nan | % | 10.1016/j.bmcl.2021.128338 |
| None | Unchecked | T1/2 | 0.1733 | hr | 10.1016/j.bmcl.2021.128338 |