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ID: ALA1902460
Max Phase: Preclinical
Molecular Formula: C15H12N4O4S
Molecular Weight: 344.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1ccc(S(=O)(=O)N/N=C/c2c[nH]c3ccccc23)cc1
Standard InChI: InChI=1S/C15H12N4O4S/c20-19(21)12-5-7-13(8-6-12)24(22,23)18-17-10-11-9-16-15-4-2-1-3-14(11)15/h1-10,16,18H/b17-10+
Standard InChI Key: APAXXKDLVFWTEN-LICLKQGHSA-N
Associated Targets(non-human)
mRNA interferase MazF 968 Activities
MEF 1005 Activities
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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 |
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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: 344.35 | Molecular Weight (Monoisotopic): 344.0579 | AlogP: 2.39 | #Rotatable Bonds: 5 |
| Polar Surface Area: 117.46 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.92 | CX Basic pKa: | CX LogP: 2.76 | CX LogD: 2.75 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.42 | Np Likeness Score: -1.51 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):