| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5197931
Max Phase: Preclinical
Molecular Formula: C19H20FN3O3
Molecular Weight: 357.39
Associated Items:
Representations
Canonical SMILES: O=C1O[C@@H](CO)CN1c1ccc(-c2ccnc(N3CCCC3)c2)c(F)c1
Standard InChI: InChI=1S/C19H20FN3O3/c20-17-10-14(23-11-15(12-24)26-19(23)25)3-4-16(17)13-5-6-21-18(9-13)22-7-1-2-8-22/h3-6,9-10,15,24H,1-2,7-8,11-12H2/t15-/m1/s1
Standard InChI Key: JHUGVNMZHNUHGP-OAHLLOKOSA-N
Associated Targets(non-human)
Acinetobacter baumannii 41033 Activities
Escherichia coli 133304 Activities
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Pseudomonas aeruginosa 123386 Activities
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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 |
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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: 357.39 | Molecular Weight (Monoisotopic): 357.1489 | AlogP: 2.81 | #Rotatable Bonds: 4 |
| Polar Surface Area: 65.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.82 | CX LogP: 2.57 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.91 | Np Likeness Score: -1.24 |
References
| 1. Hu Z, Leus IV, Chandar B, Sherborne BS, Avila QP, Rybenkov VV, Zgurskaya HI, Duerfeldt AS.. (2022) Structure-Uptake Relationship Studies of Oxazolidinones in Gram-Negative ESKAPE Pathogens., 65 (20.0): [PMID:36257060] [10.1021/acs.jmedchem.2c01349] |
Source
Source(1):