| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA366877
Max Phase: Preclinical
Molecular Formula: C11H9F3N2S
Molecular Weight: 258.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1sc(N)nc1-c1ccc(C(F)(F)F)cc1
Standard InChI: InChI=1S/C11H9F3N2S/c1-6-9(16-10(15)17-6)7-2-4-8(5-3-7)11(12,13)14/h2-5H,1H3,(H2,15,16)
Standard InChI Key: SUDKFQSYTBBEGL-UHFFFAOYSA-N
Associated Targets(non-human)
Apical membrane antigen 1 72 Activities
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 |
|---|
Properties
| Molecular Weight: 258.27 | Molecular Weight (Monoisotopic): 258.0439 | AlogP: 3.72 | #Rotatable Bonds: 1 |
| Polar Surface Area: 38.91 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.62 | CX LogP: 4.04 | CX LogD: 4.04 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.85 | Np Likeness Score: -1.66 |
References
| 1. Yamaguchi K, Yada M, Tsuji T, Hatanaka Y, Goda K, Kobori T.. (1999) 4-Phenylthiazole derivatives inhibit IL-6 secretion in osteoblastic cells and suppress bone weight loss in ovariectomized mice., 9 (7): [PMID:10230619] [10.1016/s0960-894x(99)00122-5] |
| 2. Devine SM, Mulcair MD, Debono CO, Leung EW, Nissink JW, Lim SS, Chandrashekaran IR, Vazirani M, Mohanty B, Simpson JS, Baell JB, Scammells PJ, Norton RS, Scanlon MJ.. (2015) Promiscuous 2-aminothiazoles (PrATs): a frequent hitting scaffold., 58 (3): [PMID:25559643] [10.1021/jm501402x] |
Source
Source(1):