| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4638933
Max Phase: Preclinical
Molecular Formula: C25H48N4
Molecular Weight: 404.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)=CCC/C(C)=C\CCC(C)=CCNCCCN1CCN(CCCN)CC1
Standard InChI: InChI=1S/C25H48N4/c1-23(2)9-5-10-24(3)11-6-12-25(4)13-16-27-15-8-18-29-21-19-28(20-22-29)17-7-14-26/h9,11,13,27H,5-8,10,12,14-22,26H2,1-4H3/b24-11-,25-13?
Standard InChI Key: QMVPTVNOXHEJMT-LESBAYQLSA-N
Associated Targets(non-human)
Klebsiella aerogenes 4963 Activities
Salmonella typhimurium 15756 Activities
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CHO 4503 Activities
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Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 404.69 | Molecular Weight (Monoisotopic): 404.3879 | AlogP: 4.35 | #Rotatable Bonds: 15 |
| Polar Surface Area: 44.53 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.05 | CX LogP: 3.68 | CX LogD: -1.01 |
| Aromatic Rings: 0 | Heavy Atoms: 29 | QED Weighted: 0.31 | Np Likeness Score: 0.47 |
References
| 1. Lieutaud A, Pieri C, Bolla JM, Brunel JM.. (2020) New Polyaminoisoprenyl Antibiotics Enhancers against Two Multidrug-Resistant Gram-Negative Bacteria from Enterobacter and Salmonella Species., 63 (18): [PMID:32840108] [10.1021/acs.jmedchem.0c01335] |
Source
Source(1):