| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278566
Max Phase: Preclinical
Molecular Formula: C24H38N6O9
Molecular Weight: 554.60
Associated Items:
Representations
Canonical SMILES: CCCCCCCn1cc(C[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)nn1
Standard InChI: InChI=1S/C24H38N6O9/c1-2-3-4-5-6-8-29-12-13(27-28-29)10-14(37-23-20(35)17(32)15(11-25)38-23)21-18(33)19(34)22(39-21)30-9-7-16(31)26-24(30)36/h7,9,12,14-15,17-23,32-35H,2-6,8,10-11,25H2,1H3,(H,26,31,36)/t14-,15+,17+,18-,19+,20+,21+,22+,23+/m0/s1
Standard InChI Key: BDXVKABRRVJCRS-KQXJDBLFSA-N
Associated Targets(non-human)
Cutaneotrichosporon cutaneum 20 Activities
Candida albicans 78123 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus chromogenes 18 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phospho-N-acetylmuramoyl-pentapeptide-transferase 27 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 554.60 | Molecular Weight (Monoisotopic): 554.2700 | AlogP: -2.25 | #Rotatable Bonds: 13 |
| Polar Surface Area: 220.20 | Molecular Species: BASE | HBA: 14 | HBD: 6 |
| #RO5 Violations: 3 | HBA (Lipinski): 15 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 9.70 | CX Basic pKa: 8.75 | CX LogP: -1.14 | CX LogD: -2.26 |
| Aromatic Rings: 2 | Heavy Atoms: 39 | QED Weighted: 0.14 | Np Likeness Score: 0.54 |
References
| 1. Serpi M, Ferrari V, Pertusati F.. (2016) Nucleoside Derived Antibiotics to Fight Microbial Drug Resistance: New Utilities for an Established Class of Drugs?, 59 (23): [PMID:27607900] [10.1021/acs.jmedchem.6b00325] |
Source
Source(1):