| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276547
Max Phase: Preclinical
Molecular Formula: C18H15N7
Molecular Weight: 329.37
Associated Items:
Representations
Canonical SMILES: C(=N/Nc1ncnc2c1nnn2Cc1ccccc1)\c1ccccc1
Standard InChI: InChI=1S/C18H15N7/c1-3-7-14(8-4-1)11-21-23-17-16-18(20-13-19-17)25(24-22-16)12-15-9-5-2-6-10-15/h1-11,13H,12H2,(H,19,20,23)/b21-11+
Standard InChI Key: NMVWYCSNTUSPBP-SRZZPIQSSA-N
Associated Targets(non-human)
Erythromycin resistance protein 32 Activities
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: 329.37 | Molecular Weight (Monoisotopic): 329.1389 | AlogP: 2.72 | #Rotatable Bonds: 5 |
| Polar Surface Area: 80.88 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.22 | CX Basic pKa: 5.03 | CX LogP: 4.02 | CX LogD: 4.00 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.45 | Np Likeness Score: -1.98 |
References
| 1. Jeremia L, Deprez BE, Dey D, Conn GL, Wuest WM.. (2023) Ribosome-targeting antibiotics and resistance via ribosomal RNA methylation., 14 (4): [PMID:37122541] [10.1039/d2md00459c] |
Source
Source(1):