ID: ALA2367766
PubChem CID: 73346789
Max Phase: Preclinical
Molecular Formula: C44H88N10O18S4
Molecular Weight: 1173.51
Molecule Type: Unknown
Associated Items:
Synonyms: Tobramycin-Tobramycin | Tobramycin-Tobramycin|Tob-Tob dimer|CHEMBL2367766|BDBM50090266
Canonical SMILES: NC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CSCCOCCSSCCOCCSC[C@H]4O[C@H](O[C@@H]5[C@@H](O)[C@H](O[C@H]6O[C@H](CN)[C@@H](O)C[C@H]6N)[C@@H](N)C[C@H]5N)[C@H](O)[C@@H](N)[C@@H]4O)[C@@H](O)[C@H](N)[C@H]3O)[C@H](N)C[C@@H]2N)[C@H](N)C[C@@H]1O
Standard InChI: InChI=1S/C44H88N10O18S4/c45-13-25-23(55)11-21(51)41(65-25)69-37-17(47)9-19(49)39(35(37)61)71-43-33(59)29(53)31(57)27(67-43)15-73-5-1-63-3-7-75-76-8-4-64-2-6-74-16-28-32(58)30(54)34(60)44(68-28)72-40-20(50)10-18(48)38(36(40)62)70-42-22(52)12-24(56)26(14-46)66-42/h17-44,55-62H,1-16,45-54H2/t17-,18-,19+,20+,21+,22+,23-,24-,25+,26+,27+,28+,29-,30-,31+,32+,33+,34+,35-,36-,37+,38+,39-,40-,41+,42+,43+,44+/m0/s1
Standard InChI Key: DRKCFEIKVASKQV-HWJHIZAWSA-N
Molfile:
RDKit 2D
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M END| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 1173.51 | Molecular Weight (Monoisotopic): 1172.5161 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Tok JB, Dunn LJ, Des Jean RC.. (2001) Binding of dimeric aminoglycosides to the HIV-1 rev responsive element (RRE) RNA construct., 11 (9): [PMID:11354359] [10.1016/s0960-894x(01)00149-4] |
| 2. Tok JB, Huffman GR.. (2000) Enhanced binding of aminoglycoside dimers to a "dimerized" A-site 16S rRNA construct., 10 (14): [PMID:10915059] [10.1016/s0960-894x(00)00299-7] |
| 3. Wang H, Tor Y. (1997) Dimeric aminoglycosides: Design, synthesis and RNA binding, 7 (14): [10.1016/S0960-894X(97)00339-9] |
| 4. Tok JB, Fenker J.. (2001) Novel synthesis and RNA-binding properties of aminoglycoside dimers conjugated via a naphthalene diimide-based intercalator., 11 (22): [PMID:11677142] [10.1016/s0960-894x(01)00602-3] |
Source(1):