| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3185242
Max Phase: Preclinical
Molecular Formula: C20H17ClN2O2
Molecular Weight: 352.82
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1C(Nc2ccc(Cl)cc2)=C(N2CCCC2)C(=O)c2ccccc21
Standard InChI: InChI=1S/C20H17ClN2O2/c21-13-7-9-14(10-8-13)22-17-18(23-11-3-4-12-23)20(25)16-6-2-1-5-15(16)19(17)24/h1-2,5-10,22H,3-4,11-12H2
Standard InChI Key: QPVLMAIPXDBJAF-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: 352.82 | Molecular Weight (Monoisotopic): 352.0979 | AlogP: 4.14 | #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: 3.08 | CX LogD: 3.08 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.90 | Np Likeness Score: -0.79 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):