Hikizimycin; Hydrobromide
AlkaPlorer ID: AK300430
Synonym: None
IUPAC Name: 4-amino-1-[5-amino-6-[1-[4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6-pentahydroxyhexyl]-3,4-dihydroxyoxan-2-yl]pyrimidin-2-one
Structure
SMILES: NC1=NC(=O)N(C2OC(C(OC3OC(CO)C(O)C(N)C3O)C(O)C(O)C(O)C(O)CO)C(N)C(O)C2O)C=C1
InChI: InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)
InChIKey: VQQSDVBOXQHCHU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces longissimus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 583.5480000000002
TPSA？: 342.94
MolLogP？: -8.640600000000012
Number of H-Donors: 13
Number of H-Acceptors: 19
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 35481.34 | nM | None |
| Homo sapiens | A498 | GI50 | 100000.0 | nM | None |
| Homo sapiens | A549 | GI50 | 100000.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 21677.04 | nM | None |
| Homo sapiens | BT-549 | GI50 | 31260.79 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 60953.69 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 100000.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 100000.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 100000.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 100000.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 5260.17 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 46344.69 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 36307.81 | nM | None |
| Homo sapiens | HL-60 | GI50 | 100000.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 20749.14 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 3784.43 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 1981.53 | nM | None |
| Homo sapiens | HT-29 | GI50 | 100000.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 30690.22 | nM | None |
| Homo sapiens | KM12 | GI50 | 69984.2 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 21677.04 | nM | None |
| Homo sapiens | M14 | GI50 | 43954.16 | nM | None |
| Homo sapiens | MCF7 | GI50 | 100000.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 6441.69 | 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 | 49090.79 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 100000.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 48194.78 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 21978.6 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 22490.55 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 22438.82 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 3539.97 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 14996.85 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 81470.43 | nM | None |
| Homo sapiens | PC-3 | GI50 | 50699.07 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 100000.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 11040.79 | nM | None |
| Homo sapiens | SF-295 | GI50 | 13091.82 | nM | None |
| Homo sapiens | SF-539 | GI50 | 11297.96 | nM | None |
| 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 | 100000.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 100000.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 47315.13 | nM | None |
| Homo sapiens | SR | GI50 | 19906.73 | nM | None |
| Homo sapiens | SW-620 | GI50 | 100000.0 | nM | None |
| Homo sapiens | T47D | GI50 | 100000.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 85901.35 | 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 | 70957.78 | nM | None |
| Homo sapiens | UO-31 | GI50 | 51999.6 | nM | None |