| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4552565
Max Phase: Preclinical
Molecular Formula: C19H15N5O3S
Molecular Weight: 393.43
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2cccc3[nH]ncc23)n1
Standard InChI: InChI=1S/C19H15N5O3S/c25-18(21-11-4-5-16-17(8-11)27-7-6-26-16)15-10-28-19(23-15)22-13-2-1-3-14-12(13)9-20-24-14/h1-5,8-10H,6-7H2,(H,20,24)(H,21,25)(H,22,23)
Standard InChI Key: JFIWZUORQMWYJP-UHFFFAOYSA-N
Associated Targets(Human)
HDQ-P1 (69 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 393.43 | Molecular Weight (Monoisotopic): 393.0896 | AlogP: 3.79 | #Rotatable Bonds: 4 |
| Polar Surface Area: 101.16 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.37 | CX Basic pKa: 2.24 | CX LogP: 3.07 | CX LogD: 3.07 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -2.21 |
References
| 1. Rabea SM, Baradaran-Heravi A, Balgi AD, Krause A, Hosseini Farahabadi S, Roberge M, Grierson DS.. (2019) 2-Aminothiazole-4-carboxamides Enhance Readthrough of Premature Termination Codons by Aminoglycosides., 10 (5): [PMID:31097990] [10.1021/acsmedchemlett.8b00610] |
Source
Source(1):