| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3182144
Max Phase: Preclinical
Molecular Formula: C21H19BrN2O2
Molecular Weight: 411.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C(Nc2ccc(Br)cc2)=C(N2CCCCC2)C(=O)c2ccccc21
Standard InChI: InChI=1S/C21H19BrN2O2/c22-14-8-10-15(11-9-14)23-18-19(24-12-4-1-5-13-24)21(26)17-7-3-2-6-16(17)20(18)25/h2-3,6-11,23H,1,4-5,12-13H2
Standard InChI Key: RKBFFFJNTUBVDA-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: 411.30 | Molecular Weight (Monoisotopic): 410.0630 | AlogP: 4.64 | #Rotatable Bonds: 3 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.69 | CX LogD: 3.69 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.80 | Np Likeness Score: -0.67 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):