| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1733814
Max Phase: Preclinical
Molecular Formula: C16H14ClNO3
Molecular Weight: 303.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC12C=CC(C)(O1)C1C(=O)N(c3ccc(Cl)cc3)C(=O)C12
Standard InChI: InChI=1S/C16H14ClNO3/c1-15-7-8-16(2,21-15)12-11(15)13(19)18(14(12)20)10-5-3-9(17)4-6-10/h3-8,11-12H,1-2H3
Standard InChI Key: YGXYDYAYCQSPGI-UHFFFAOYSA-N
Associated Targets(Human)
Voltage-gated N-type calcium channel alpha-1B subunit/Amyloid beta A4 precursor protein-binding family A member 1 925 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: 303.75 | Molecular Weight (Monoisotopic): 303.0662 | AlogP: 2.56 | #Rotatable Bonds: 1 |
| Polar Surface Area: 46.61 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.62 | CX Basic pKa: | CX LogP: 2.21 | CX LogD: 2.21 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.59 | Np Likeness Score: -0.29 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):