Saframycin A
AlkaPlorer ID: AK423763
Synonym: None
IUPAC Name: N-[(12-cyano-7,18-dimethoxy-6,17,21-trimethyl-5,8,16,19-tetraoxo-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),6,15(20),17-tetraen-10-yl)methyl]-2-oxopropanamide
Structure
SMILES: COC1=C(C)C(=O)C2=C(C1=O)C1C3CC4=C(C(=O)C(OC)=C(C)C4=O)C(CNC(=O)C(C)=O)N3C(C#N)C(C2)N1C
InChI: InChI=1S/C29H30N4O8/c1-11-23(35)14-8-17-22-21-15(24(36)12(2)28(41-6)26(21)38)7-16(32(22)4)18(9-30)33(17)19(10-31-29(39)13(3)34)20(14)25(37)27(11)40-5/h16-19,22H,7-8,10H2,1-6H3,(H,31,39)
InChIKey: JNEGMBHBUAJRSX-UHFFFAOYSA-N
Reference
New antibiotics, saframycins A, B, C, D and E.
PubChem CID: 462199
CAS: 66082-27-7
LOTUS: LTS0054342
COCONUT: CNP0340399.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces lavendulae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 562.5790000000002
TPSA？: 163.18
MolLogP？: -0.149419999999997
Number of H-Donors: 1
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 3.828 | nM | None |
| Homo sapiens | A498 | GI50 | 47.86 | nM | None |
| Homo sapiens | A549 | GI50 | 181.97 | nM | None |
| Homo sapiens | ACHN | GI50 | 20.94 | nM | None |
| Homo sapiens | Alpha-synuclein | Potency | 35481.3 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 150.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 1.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 5.164 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 8.395 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 2.742 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 2.535 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 1.618 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 4.315 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 25118.9 | nM | None |
| Homo sapiens | DU-145 | GI50 | 5.445 | nM | None |
| Homo sapiens | EKVX | GI50 | 103.75 | nM | None |
| Homo sapiens | Geminin | Potency | 183.6 | nM | None |
| Homo sapiens | Geminin | Potency | 461.1 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 6.295 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 7.112 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 6.026 | nM | None |
| Homo sapiens | HEK293 | Potency | 1778.3 | nM | None |
| Homo sapiens | HepG2 | Potency | 7079.5 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase NSD2 | AC50 | 8920.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 3.281 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 55.34 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 21.53 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 4.416 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 1.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 3.882 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 4.236 | nM | None |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 112201.8 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 18356.4 | nM | None |
| Homo sapiens | K562 | GI50 | 1.531 | nM | None |
| Homo sapiens | KM12 | GI50 | 7.889 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 14.93 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 1.288 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 1.528 | nM | None |
| Homo sapiens | M14 | GI50 | 4.169 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 6.339 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 6.776 | nM | None |
| Homo sapiens | MCF7 | GI50 | 10.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 2.825 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 1.6 | nM | None |
| Homo sapiens | MDA-N | GI50 | 1.875 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 8.375 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 141.3 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 296.48 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 17.66 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 3.846 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 34.67 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 10.09 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 1.0 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 580.5 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 4.188 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 40.55 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 17.22 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 6.607 | nM | None |
| Homo sapiens | PC-3 | GI50 | 3.524 | nM | None |
| Homo sapiens | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | Potency | 37933.0 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 79432.8 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 1.403 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 4.955 | nM | None |
| Homo sapiens | RXF 631 | GI50 | 20.56 | nM | None |
| Homo sapiens | Serine/threonine-protein kinase PLK1 | Potency | 26679.5 | nM | None |
| Homo sapiens | SF-268 | GI50 | 14.0 | nM | None |
| Homo sapiens | SF-295 | GI50 | 20.18 | nM | None |
| Homo sapiens | SF-539 | GI50 | 8.913 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 2.259 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 5.105 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 3.428 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 74.13 | nM | None |
| Homo sapiens | SN12C | GI50 | 2.844 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 10.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 8.035 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 5.188 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 6.166 | nM | None |
| Homo sapiens | SR | GI50 | 1.706 | nM | None |
| Homo sapiens | SW-620 | GI50 | 2.455 | nM | None |
| Homo sapiens | T47D | GI50 | 1.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 32.81 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 25.9 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 41.1 | nM | None |
| Homo sapiens | U-251 | GI50 | 8.11 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 4.645 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 3.532 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 35481.3 | nM | None |
| Homo sapiens | UO-31 | GI50 | 23.01 | nM | None |
| Homo sapiens | XF498 | GI50 | 8.375 | nM | None |
| Mus musculus | P388 | GI50 | 10.0 | nM | None |
| Mus musculus | P388/ADR | GI50 | 44.77 | nM | None |
| None | Unchecked | Potency | 82.0 | nM | None |
| None | Unchecked | Potency | 891.3 | nM | None |
| None | Unchecked | Potency | 1000.0 | nM | None |
| None | Unchecked | Potency | 6309.6 | nM | None |
| None | Unchecked | Potency | 9200.0 | nM | None |
| None | Unchecked | Potency | 100000.0 | nM | None |