| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277350
Max Phase: Preclinical
Molecular Formula: C20H19F3N6OS
Molecular Weight: 448.47
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Nc2ncc(C(=O)N3CCN(c4ccc(C(F)(F)F)cn4)CC3)s2)nc1
Standard InChI: InChI=1S/C20H19F3N6OS/c1-13-2-4-16(24-10-13)27-19-26-12-15(31-19)18(30)29-8-6-28(7-9-29)17-5-3-14(11-25-17)20(21,22)23/h2-5,10-12H,6-9H2,1H3,(H,24,26,27)
Standard InChI Key: LNHVJOSMECPEQA-UHFFFAOYSA-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: 448.47 | Molecular Weight (Monoisotopic): 448.1293 | AlogP: 3.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.25 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.72 | CX Basic pKa: 5.26 | CX LogP: 4.07 | CX LogD: 4.06 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.65 | Np Likeness Score: -2.43 |
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):