Antiprotealide
AlkaPlorer ID: AK025538
Synonym: None
IUPAC Name: (1R,4R,5S)-4-(2-chloroethyl)-1-[(1S)-1-hydroxy-2-methylpropyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
Structure
SMILES: CC(C)[C@H](O)[C@@]12NC(=O)[C@H](CCCl)[C@]1(C)OC2=O
InChI: InChI=1S/C12H18ClNO4/c1-6(2)8(15)12-10(17)18-11(12,3)7(4-5-13)9(16)14-12/h6-8,15H,4-5H2,1-3H3,(H,14,16)/t7-,8-,11-,12-/m0/s1
InChIKey: ISOLNHGTJDCQNQ-OSTYVCCYSA-N
Reference
PubChem CID: 11173422
LOTUS: LTS0086234
SuperNatural Ⅲ: SN0154235-01
NPASS: NPC226513
{NPAtlas: NPA005644
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Salinispora tropica | Salinispora | Micromonosporaceae | Micromonosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Barbara | Tortricidae | Lepidoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 275.732
TPSA？: 75.63
MolLogP？: 0.4324999999999996
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HCT-116 | IC50 | 777.0 | nM | 10.1021/jm901098m |
| Homo sapiens | RPMI-8226 | IC50 | 220.0 | nM | 10.1021/np800578e |
| Homo sapiens | RPMI-8226 | IC50 | 283.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 27.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 31.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 101.0 | nM | 10.1021/jm901098m |
| None | Unchecked | IC50 | 211.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 262.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 10000.0 | nM | 10.1021/np800578e |
| None | Unchecked | IC50 | 20000.0 | nM | 10.1021/np800578e |