| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3184406
Max Phase: Preclinical
Molecular Formula: C23H23N3O3
Molecular Weight: 389.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1CCN(C2=C(NC(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1
Standard InChI: InChI=1S/C23H23N3O3/c1-2-25-12-14-26(15-13-25)20-19(24-23(29)16-8-4-3-5-9-16)21(27)17-10-6-7-11-18(17)22(20)28/h3-11H,2,12-15H2,1H3,(H,24,29)
Standard InChI Key: BIVYSVYNGNREMG-UHFFFAOYSA-N
Associated Targets(Human)
Microphthalmia-associated transcription factor 3197 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: 389.46 | Molecular Weight (Monoisotopic): 389.1739 | AlogP: 2.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.72 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.16 | CX Basic pKa: 6.14 | CX LogP: 1.88 | CX LogD: 1.85 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.87 | Np Likeness Score: -0.77 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):