| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1500329
Max Phase: Preclinical
Molecular Formula: C18H26N4O5
Molecular Weight: 378.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCCCN1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
Standard InChI: InChI=1S/C18H26N4O5/c23-18(19-4-1-5-20-6-10-26-11-7-20)15-2-3-16(17(14-15)22(24)25)21-8-12-27-13-9-21/h2-3,14H,1,4-13H2,(H,19,23)
Standard InChI Key: OSFXUDRUKNNMEO-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: 378.43 | Molecular Weight (Monoisotopic): 378.1903 | AlogP: 0.88 | #Rotatable Bonds: 7 |
| Polar Surface Area: 97.18 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.98 | CX LogP: 0.74 | CX LogD: 0.60 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.43 | Np Likeness Score: -1.97 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):