Pactamycin
AlkaPlorer ID: AK309153
Synonym: A3 121A, NSC 52947, U 15800, Antibiotic A3 121A, Pactacin
IUPAC Name: [5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-(1-hydroxyethyl)-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Structure
SMILES: CC(=O)C1=CC(NC2C(N)C(N=C(O)N(C)C)(C(C)O)C(C)(O)C2(O)COC(=O)C2=C(C)C=CC=C2O)=CC=C1
InChI: InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)
InChIKey: WVIUOSJLUCTGFK-UHFFFAOYSA-N
Reference
Directed biosynthesis of 5''-fluoropactamycin in Streptomyces pactum.
PubChem CID: 413861
CAS: 1405-46-5
LOTUS: LTS0069912
COCONUT: CNP0323316.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
| Streptomyces pactum | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 558.6320000000003
TPSA？: 198.17
MolLogP？: 0.9589200000000015
Number of H-Donors: 7
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | 786-0 | GI50 | 1.0 | nM | None |
| Homo sapiens | A498 | GI50 | 1.0 | nM | None |
| Homo sapiens | A549 | GI50 | 1.0 | nM | None |
| Homo sapiens | ACHN | GI50 | 1.0 | nM | None |
| Homo sapiens | BT-549 | GI50 | 1.0 | nM | None |
| Homo sapiens | CAKI-1 | GI50 | 1.0 | nM | None |
| Homo sapiens | CCRF-CEM | GI50 | 1.0 | nM | None |
| Homo sapiens | COLO 205 | GI50 | 1.0 | nM | None |
| Homo sapiens | DMS-114 | GI50 | 10.0 | nM | None |
| Homo sapiens | DU-145 | GI50 | 1.0 | nM | None |
| Homo sapiens | EKVX | GI50 | 1.0 | nM | None |
| Homo sapiens | HCC 2998 | GI50 | 1.0 | nM | None |
| Homo sapiens | HCT-116 | GI50 | 1.0 | nM | None |
| Homo sapiens | HCT-15 | GI50 | 2.958 | nM | None |
| Homo sapiens | HL-60 | GI50 | 1.0 | nM | None |
| Homo sapiens | HOP-62 | GI50 | 1.0 | nM | None |
| Homo sapiens | HOP-92 | GI50 | 1.0 | nM | None |
| Homo sapiens | Hs-578T | GI50 | 1.0 | nM | None |
| Homo sapiens | HT-29 | GI50 | 1.0 | nM | None |
| Homo sapiens | IGROV-1 | GI50 | 1.0 | nM | None |
| Homo sapiens | K562 | GI50 | 1.0 | nM | None |
| Homo sapiens | KM12 | GI50 | 1.0 | nM | None |
| Homo sapiens | KM-20L2 | GI50 | 10.0 | nM | None |
| Homo sapiens | LXFL 529 | GI50 | 10.0 | nM | None |
| Homo sapiens | M14 | GI50 | 11.75 | nM | None |
| Homo sapiens | M19-MEL | GI50 | 10.0 | nM | None |
| Homo sapiens | Malme-3M | GI50 | 1.0 | nM | None |
| Homo sapiens | MCF7 | GI50 | 1.0 | nM | None |
| Homo sapiens | MDA-MB-231 | GI50 | 1.871 | nM | None |
| Homo sapiens | MDA-MB-435 | GI50 | 1.0 | nM | None |
| Homo sapiens | MDA-N | GI50 | 1.0 | nM | None |
| Homo sapiens | MOLT-4 | GI50 | 1.0 | nM | None |
| Homo sapiens | NCI/ADR-RES | GI50 | 13.43 | nM | None |
| Homo sapiens | NCI-H226 | GI50 | 1.0 | nM | None |
| Homo sapiens | NCI-H23 | GI50 | 1.0 | nM | None |
| Homo sapiens | NCI-H322M | GI50 | 12.39 | nM | None |
| Homo sapiens | NCI-H460 | GI50 | 1.0 | nM | None |
| Homo sapiens | NCI-H522 | GI50 | 10.0 | nM | None |
| Homo sapiens | OVCAR-3 | GI50 | 10.0 | nM | None |
| Homo sapiens | OVCAR-4 | GI50 | 1.0 | nM | None |
| Homo sapiens | OVCAR-5 | GI50 | 1.0 | nM | None |
| Homo sapiens | OVCAR-8 | GI50 | 1.0 | nM | None |
| Homo sapiens | RPMI-8226 | GI50 | 1.0 | nM | None |
| Homo sapiens | RXF 393 | GI50 | 1.0 | nM | None |
| Homo sapiens | SF-268 | GI50 | 26.3 | nM | None |
| Homo sapiens | SF-295 | GI50 | 1.069 | nM | None |
| Homo sapiens | SF-539 | GI50 | 1.0 | nM | None |
| Homo sapiens | SK-MEL-2 | GI50 | 10.0 | nM | None |
| Homo sapiens | SK-MEL-28 | GI50 | 1.0 | nM | None |
| Homo sapiens | SK-MEL-5 | GI50 | 1.0 | nM | None |
| Homo sapiens | SK-OV-3 | GI50 | 1.0 | nM | None |
| Homo sapiens | SN12C | GI50 | 1.0 | nM | None |
| Homo sapiens | SNB-19 | GI50 | 1.0 | nM | None |
| Homo sapiens | SNB-75 | GI50 | 94.84 | nM | None |
| Homo sapiens | SNB-78 | GI50 | 10.0 | nM | None |
| Homo sapiens | SR | GI50 | 1.0 | nM | None |
| Homo sapiens | SW-620 | GI50 | 1.0 | nM | None |
| Homo sapiens | T47D | GI50 | 1.0 | nM | None |
| Homo sapiens | TK-10 | GI50 | 1.0 | nM | None |
| Homo sapiens | U-251 | GI50 | 1.0 | nM | None |
| Homo sapiens | UACC-257 | GI50 | 1.13 | nM | None |
| Homo sapiens | UACC-62 | GI50 | 10.0 | nM | None |
| Homo sapiens | UO-31 | GI50 | 1.91 | nM | None |