| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1916866
Max Phase: Preclinical
Molecular Formula: C9H11N3O3
Molecular Weight: 209.21
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(=N\NC(=O)NO)c1ccc(O)cc1
Standard InChI: InChI=1S/C9H11N3O3/c1-6(10-11-9(14)12-15)7-2-4-8(13)5-3-7/h2-5,13,15H,1H3,(H2,11,12,14)/b10-6+
Standard InChI Key: AROHVWUZORMVQX-UXBLZVDNSA-N
Associated Targets(non-human)
Yersinia pestis 750 Activities
Mycobacterium tuberculosis 203094 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
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Properties
| Molecular Weight: 209.21 | Molecular Weight (Monoisotopic): 209.0800 | AlogP: 0.80 | #Rotatable Bonds: 2 |
| Polar Surface Area: 93.95 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.90 | CX Basic pKa: 1.17 | CX LogP: 0.31 | CX LogD: 0.30 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.33 | Np Likeness Score: -0.68 |
References
| 1. Ferreras JA, Gupta A, Amin ND, Basu A, Sinha BN, Worgall S, Jayaprakash V, Quadri LE.. (2011) Chemical scaffolds with structural similarities to siderophores of nonribosomal peptide-polyketide origin as novel antimicrobials against Mycobacterium tuberculosis and Yersinia pestis., 21 (21): [PMID:21940166] [10.1016/j.bmcl.2011.08.052] |
Source
Source(1):