| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1583861
Max Phase: Preclinical
Molecular Formula: C21H18N2O7
Molecular Weight: 410.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(=O)c2ccccc2o1
Standard InChI: InChI=1S/C21H18N2O7/c24-15-12-18(30-16-5-2-1-4-14(15)16)21(27)29-13-19(25)22-7-9-23(10-8-22)20(26)17-6-3-11-28-17/h1-6,11-12H,7-10,13H2
Standard InChI Key: QUZPPHAXAVEHRO-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: 410.38 | Molecular Weight (Monoisotopic): 410.1114 | AlogP: 1.53 | #Rotatable Bonds: 4 |
| Polar Surface Area: 110.27 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 0.78 | CX LogD: 0.78 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.60 | Np Likeness Score: -1.10 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):