| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4581465
Max Phase: Preclinical
Molecular Formula: C17H14N4O4S
Molecular Weight: 370.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc2c(c1)OCCO2)c1csc(Nc2ccc(=O)[nH]c2)n1
Standard InChI: InChI=1S/C17H14N4O4S/c22-15-4-2-11(8-18-15)20-17-21-12(9-26-17)16(23)19-10-1-3-13-14(7-10)25-6-5-24-13/h1-4,7-9H,5-6H2,(H,18,22)(H,19,23)(H,20,21)
Standard InChI Key: ZKWVVCZWJWJAFA-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: 370.39 | Molecular Weight (Monoisotopic): 370.0736 | AlogP: 2.60 | #Rotatable Bonds: 4 |
| Polar Surface Area: 105.34 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.11 | CX Basic pKa: 0.21 | CX LogP: 1.39 | CX LogD: 1.39 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.65 | Np Likeness Score: -1.77 |
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):