| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4574720
Max Phase: Preclinical
Molecular Formula: C20H19N5O4S
Molecular Weight: 425.47
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(NC(=O)c2csc(Nc3cccc4[nH]ncc34)n2)cc(OC)c1OC
Standard InChI: InChI=1S/C20H19N5O4S/c1-27-16-7-11(8-17(28-2)18(16)29-3)22-19(26)15-10-30-20(24-15)23-13-5-4-6-14-12(13)9-21-25-14/h4-10H,1-3H3,(H,21,25)(H,22,26)(H,23,24)
Standard InChI Key: CPRBKEORBHOHNV-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: 425.47 | Molecular Weight (Monoisotopic): 425.1158 | AlogP: 4.04 | #Rotatable Bonds: 7 |
| Polar Surface Area: 110.39 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.37 | CX Basic pKa: 2.24 | CX LogP: 3.08 | CX LogD: 3.08 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.41 | Np Likeness Score: -1.79 |
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):