Augustine
AlkaPlorer ID: AK008225
Synonym: ''
IUPAC Name: (1S,13R,15R,16S,18R)-15-methoxy-5,7,17-trioxa-12-azahexacyclo[10.6.2.01,13.02,10.04,8.016,18]icosa-2,4(8),9-triene
Structure
SMILES: CO[C@@H]1C[C@H]2N3CC[C@@]2(C2=CC4=C(C=C2C3)OCO4)[C@H]2O[C@@H]12
InChI: InChI=1S/C17H19NO4/c1-19-13-6-14-17(16-15(13)22-16)2-3-18(14)7-9-4-11-12(5-10(9)17)21-8-20-11/h4-5,13-16H,2-3,6-8H2,1H3/t13-,14-,15+,16+,17+/m1/s1
InChIKey: QLRRUWXMMVXORS-NRKLIOEPSA-N
Reference
PubChem CID: 157561
CAS: 79659-60-2
LOTUS: LTS0236576
SuperNatural Ⅲ: SN0308872-01
NPASS: NPC65403
Source
Properties Information
Molecule Weight: 301.34200000000004
TPSA？: 43.46
MolLogP？: 1.4271
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A-431 | ED50 | 4.9 | ug ml-1 | 10.1021/np50098a017 |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 100000.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 851.14 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 100000.0 | nM | None |
| Homo sapiens | HT-1080 | ED50 | 1.2 | ug ml-1 | 10.1021/np50098a017 |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 100000.0 | nM | None |
| Homo sapiens | K562 | GI50 | 100000.0 | nM | None |
| Homo sapiens | KB | ED50 | 0.6 | ug ml-1 | 10.1021/np50098a017 |
| Homo sapiens | KM12 | GI50 | 100000.0 | nM | None |
| Homo sapiens | LNCaP | ED50 | 1.7 | ug ml-1 | 10.1021/np50098a017 |
| Homo sapiens | LOX IMVI | GI50 | 100000.0 | nM | None |
| Homo sapiens | M14 | GI50 | 100000.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 100000.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 100000.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 1342.76 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 100000.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 100000.0 | nM | None |
| Homo sapiens | PC-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-539 | GI50 | 602.56 | nM | None |
| Homo sapiens | SK-MEL-2 | ED50 | 3.2 | ug ml-1 | 10.1021/np50098a017 |
| Homo sapiens | SK-MEL-2 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 157.4 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 100000.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 100000.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ZR-75-1 | ED50 | 1.8 | ug ml-1 | 10.1021/np50098a017 |
| Mus musculus | P388 | ED50 | 0.6 | ug ml-1 | 10.1021/np50098a017 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 140.0 | ug ml-1 | 10.1021/np50098a017 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 180.0 | ug ml-1 | 10.1021/np50098a017 |
| None | NON-PROTEIN TARGET | ED50 | 0.6 | ug ml-1 | 10.1021/np50098a017 |
| None | NON-PROTEIN TARGET | ED50 | 2.4 | ug ml-1 | 10.1021/np50098a017 |
| None | NON-PROTEIN TARGET | ED50 | 2.8 | ug ml-1 | 10.1021/np50098a017 |
| None | NON-PROTEIN TARGET | ED50 | 3.7 | ug ml-1 | 10.1021/np50098a017 |
| None | NON-PROTEIN TARGET | ED50 | 20.0 | ug ml-1 | 10.1021/np50098a017 |
| None | Unchecked | Ratio ED50 | 3.0 | None | 10.1021/np50098a017 |
| None | Unchecked | Ratio ED50 | 4.0 | None | 10.1021/np50098a017 |