| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1544008
Max Phase: Preclinical
Molecular Formula: C18H20N2O6S2
Molecular Weight: 424.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccccc1/C=C1\SC(=O)N(CC(=O)N(C)C2CCS(=O)(=O)C2)C1=O
Standard InChI: InChI=1S/C18H20N2O6S2/c1-19(13-7-8-28(24,25)11-13)16(21)10-20-17(22)15(27-18(20)23)9-12-5-3-4-6-14(12)26-2/h3-6,9,13H,7-8,10-11H2,1-2H3/b15-9-
Standard InChI Key: YOBHAGQTHJDQDL-DHDCSXOGSA-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: 424.50 | Molecular Weight (Monoisotopic): 424.0763 | AlogP: 1.38 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.06 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.19 | CX LogD: -0.19 |
| Aromatic Rings: 1 | Heavy Atoms: 28 | QED Weighted: 0.66 | Np Likeness Score: -2.24 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):