| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1561845
Max Phase: Preclinical
Molecular Formula: C19H17FN4O4S
Molecular Weight: 416.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)C(Sc1nc(-c2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C)C(C)=O
Standard InChI: InChI=1S/C19H17FN4O4S/c1-9(25)14(10(2)26)29-17-13-16(23(3)19(28)24(4)18(13)27)21-15(22-17)11-5-7-12(20)8-6-11/h5-8,14H,1-4H3
Standard InChI Key: XWOKDSKSNYGGJN-UHFFFAOYSA-N
Associated Targets(Human)
Muscleblind-like protein 1 34431 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: 416.43 | Molecular Weight (Monoisotopic): 416.0955 | AlogP: 1.47 | #Rotatable Bonds: 5 |
| Polar Surface Area: 103.92 | Molecular Species: ACID | HBA: 9 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.89 | CX Basic pKa: 1.12 | CX LogP: 3.32 | CX LogD: 0.33 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.35 | Np Likeness Score: -1.46 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):