| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3594026
Max Phase: Preclinical
Molecular Formula: C10H6Cl2N2O2S
Molecular Weight: 289.14
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1csc(Nc2ccc(Cl)cc2Cl)n1
Standard InChI: InChI=1S/C10H6Cl2N2O2S/c11-5-1-2-7(6(12)3-5)13-10-14-8(4-17-10)9(15)16/h1-4H,(H,13,14)(H,15,16)
Standard InChI Key: VNHCBUKRBYDTBA-UHFFFAOYSA-N
Associated Targets(Human)
POU domain, class 5, transcription factor 1 69 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: 289.14 | Molecular Weight (Monoisotopic): 287.9527 | AlogP: 3.89 | #Rotatable Bonds: 3 |
| Polar Surface Area: 62.22 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.92 | CX Basic pKa: | CX LogP: 4.01 | CX LogD: 0.81 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.90 | Np Likeness Score: -2.18 |
References
| 1. Cheng X, Yoshida H, Raoofi D, Saleh S, Alborzinia H, Wenke F, Göhring A, Reuter S, Mah N, Fuchs H, Andrade-Navarro MA, Adjaye J, Gul S, Utikal J, Mrowka R, Wölfl S.. (2015) Ethyl 2-((4-Chlorophenyl)amino)thiazole-4-carboxylate and Derivatives Are Potent Inducers of Oct3/4., 58 (15): [PMID:26143659] [10.1021/acs.jmedchem.5b00226] |
Source
Source(1):