Sangivamycic acid; Amide
AlkaPlorer ID: AK312884
Synonym: Sangivamycin, B 14437, BA 90912, NSC 65346, OS 1998, Antibiotic B 14437, Antibiotic BA 90912
IUPAC Name: 4-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carboxamide
Structure
SMILES: N=C(O)C1=CN(C2OC(CO)C(O)C2O)C2=C1C(N)=NC=N2
InChI: InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)
InChIKey: OBZJZDHRXBKKTJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rimosus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 309.282
TPSA？: 170.73000000000002
MolLogP？: -1.49163
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A498 | GI50 | 88.31 | nM | None |
| Homo sapiens | A549 | GI50 | 87.5 | nM | None |
| Homo sapiens | Ataxin-2 | Potency | 316.2 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 87.5 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 24.6 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 28.51 | nM | None |
| Homo sapiens | DLD-1 | GI50 | 87.5 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 43.85 | nM | None |
| Homo sapiens | DMS-273 | GI50 | 38.11 | nM | None |
| Homo sapiens | EKVX | GI50 | 89.54 | nM | None |
| Homo sapiens | Galanin receptor 3 | IC50 | 1280.0 | nM | None |
| Homo sapiens | Geminin | Potency | 5.2 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 87.9 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 87.5 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 87.5 | nM | None |
| Homo sapiens | HEK293 | Potency | 354.8 | nM | None |
| Homo sapiens | HepG2 | Potency | 1122.0 | nM | None |
| Homo sapiens | HL-60 | GI50 | 87.5 | nM | None |
| Homo sapiens | HOP-18 | GI50 | 46.56 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 87.5 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 87.5 | nM | None |
| Homo sapiens | HT-29 | GI50 | 87.5 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 88.51 | nM | None |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 326.4 | nM | None |
| Homo sapiens | K562 | GI50 | 87.5 | nM | None |
| Homo sapiens | KM12 | GI50 | 87.5 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 87.5 | nM | None |
| Homo sapiens | LOX IMVI | GI50 | 27.1 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 19952.6 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 116.14 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 87.5 | nM | None |
| Homo sapiens | MCF7 | GI50 | 90.16 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 27.35 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 36.6 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 92.0 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 112.2 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 231.1 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 87.5 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 71.29 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 87.5 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 87.5 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 159.96 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 48.19 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 461.1 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 819.9 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 87.5 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 87.5 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 87.5 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 138.68 | nM | None |
| Homo sapiens | Paired box protein Pax-8 | AC50 | 260.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 87.5 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 87.5 | nM | None |
| Homo sapiens | SF-268 | GI50 | 87.5 | nM | None |
| Homo sapiens | SF-295 | GI50 | 90.36 | nM | None |
| Homo sapiens | SF-539 | GI50 | 155.6 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 87.5 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 87.5 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 87.5 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 21.88 | nM | None |
| Homo sapiens | SN12C | GI50 | 87.5 | nM | None |
| Homo sapiens | SN12K1 | GI50 | 87.5 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 200.91 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 42.17 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 87.5 | nM | None |
| Homo sapiens | SW-620 | GI50 | 87.5 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 8.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16.4 | nM | None |
| Homo sapiens | U-251 | GI50 | 90.36 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 87.5 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 35.89 | nM | None |
| Homo sapiens | UO-31 | GI50 | 44.98 | nM | None |
| Homo sapiens | XF498 | GI50 | 87.5 | nM | None |
| Mus musculus | P388 | GI50 | 87.5 | nM | None |
| Mus musculus | P388/ADR | GI50 | 87.5 | nM | None |
| None | No relevant target | EC50 | 29876.0 | nM | None |
| None | Unchecked | AC50 | 591.0 | nM | None |
| None | Unchecked | Potency | 65.1 | nM | None |
| None | Unchecked | Potency | 115.8 | nM | None |
| None | Unchecked | Potency | 183.6 | nM | None |
| None | Unchecked | Potency | 223.9 | nM | None |
| None | Unchecked | Potency | 316.2 | nM | None |
| None | Unchecked | Potency | 410.9 | nM | None |
| None | Unchecked | Potency | 1122.0 | nM | None |
| None | Unchecked | Potency | 10000.0 | nM | None |
| None | Unchecked | Potency | 28183.8 | nM | None |