| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3185103
Max Phase: Preclinical
Molecular Formula: C23H23F2N3O2
Molecular Weight: 411.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)N1CCN(C2=C(Nc3ccc(F)cc3F)C(=O)c3ccccc3C2=O)CC1
Standard InChI: InChI=1S/C23H23F2N3O2/c1-14(2)27-9-11-28(12-10-27)21-20(26-19-8-7-15(24)13-18(19)25)22(29)16-5-3-4-6-17(16)23(21)30/h3-8,13-14,26H,9-12H2,1-2H3
Standard InChI Key: LSBHDXXSACXAIO-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: 411.45 | Molecular Weight (Monoisotopic): 411.1758 | AlogP: 3.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.65 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.70 | CX Basic pKa: 6.40 | CX LogP: 2.98 | CX LogD: 2.93 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.83 | Np Likeness Score: -1.24 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):