Actinomycin Z5
AlkaPlorer ID: AK040092
Synonym: '', 'Actinomycin Z5'
IUPAC Name: 2-amino-1-N-[(3R,6S,7R,10S,16S,19S)-7-(chloromethyl)-10,11,14,19-tetramethyl-2,5,9,12,15,18-hexaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[(3R,6S,7R,10S,16S,19S)-7,11,14,19-tetramethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
Structure
SMILES: CC1=C2OC3=C(N=C2C(C(O)=N[C@@H]2C(O)=N[C@H](C(C)C)C(=O)N4[C@@H](C)C(=O)C[C@H]4C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@H]2CCl)=C(N)C1=O)C(C(O)=N[C@@H]1C(O)=N[C@H](C(C)C)C(=O)N2[C@@H](C)CC[C@H]2C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]1C)=CC=C3C
InChI: InChI=1S/C62H83ClN12O17/c1-25(2)43-59(86)74-29(8)18-20-35(74)57(84)70(13)24-40(78)73(16)49(27(5)6)62(89)90-33(12)45(55(82)66-43)68-53(80)34-19-17-28(7)51-46(34)65-48-41(42(64)50(79)30(9)52(48)92-51)54(81)69-47-38(22-63)91-61(88)32(11)72(15)39(77)23-71(14)58(85)36-21-37(76)31(10)75(36)60(87)44(26(3)4)67-56(47)83/h17,19,25-27,29,31-33,35-36,38,43-45,47,49H,18,20-24,64H2,1-16H3,(H,66,82)(H,67,83)(H,68,80)(H,69,81)/t29-,31-,32-,33+,35-,36-,38-,43+,44+,45-,47-,49-/m0/s1
InChIKey: QCPYDNQMTFHQKJ-MIAMBXJMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces fradiae | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1303.865999999999
TPSA？: 391.0100000000001
MolLogP？: 3.094640000000012
Number of H-Donors: 5
Number of H-Acceptors: 19
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 0.78 | ug.mL-1 | 10.1021/np990416u |
| Homo sapiens | HepG2 | GI50 | 1500.0 | nM | 10.1021/np990416u |
| Homo sapiens | HepG2 | LC50 | 50000.0 | nM | 10.1021/np990416u |
| Homo sapiens | HepG2 | TGI | 10000.0 | nM | 10.1021/np990416u |
| Homo sapiens | MCF7 | GI50 | 100.0 | nM | 10.1021/np990416u |
| Homo sapiens | MCF7 | LC50 | 500.0 | nM | 10.1021/np990416u |
| Homo sapiens | MCF7 | TGI | 120.0 | nM | 10.1021/np990416u |
| None | NON-PROTEIN TARGET | GI50 | 100.0 | nM | 10.1021/np990416u |
| None | NON-PROTEIN TARGET | LC50 | 500.0 | nM | 10.1021/np990416u |
| None | NON-PROTEIN TARGET | TGI | 100.0 | nM | 10.1021/np990416u |