| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274925
Max Phase: Preclinical
Molecular Formula: C17H11BrFN3S
Molecular Weight: 388.26
Associated Items:
Representations
Canonical SMILES: Cc1nc(-c2ccc(F)cc2)sc1-c1cn2ccc(Br)cc2n1
Standard InChI: InChI=1S/C17H11BrFN3S/c1-10-16(14-9-22-7-6-12(18)8-15(22)21-14)23-17(20-10)11-2-4-13(19)5-3-11/h2-9H,1H3
Standard InChI Key: DTWPDYXXFRGECS-UHFFFAOYSA-N
Associated Targets(non-human)
Mycolicibacterium smegmatis 8003 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: 388.26 | Molecular Weight (Monoisotopic): 386.9841 | AlogP: 5.33 | #Rotatable Bonds: 2 |
| Polar Surface Area: 30.19 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.81 | CX LogP: 4.52 | CX LogD: 4.51 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.46 | Np Likeness Score: -2.19 |
References
| 1. Samanta S, Kumar S, Aratikatla EK, Ghorpade SR, Singh V.. (2023) Recent developments of imidazo[1,2-a]pyridine analogues as antituberculosis agents., 14 (4): [PMID:37122538] [10.1039/d3md00019b] |
Source
Source(1):