| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282218
Max Phase: Preclinical
Molecular Formula: C16H13Cl2NO
Molecular Weight: 306.19
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C2=NO[C@@H](c3ccc(Cl)c(Cl)c3)C2)cc1
Standard InChI: InChI=1S/C16H13Cl2NO/c1-10-2-4-11(5-3-10)15-9-16(20-19-15)12-6-7-13(17)14(18)8-12/h2-8,16H,9H2,1H3/t16-/m1/s1
Standard InChI Key: UHRRCXOGGDGASN-MRXNPFEDSA-N
Associated Targets(Human)
Monoamine oxidase B 8835 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 306.19 | Molecular Weight (Monoisotopic): 305.0374 | AlogP: 5.17 | #Rotatable Bonds: 2 |
| Polar Surface Area: 21.59 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.24 | CX LogP: 5.36 | CX LogD: 5.36 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.75 | Np Likeness Score: -1.08 |
References
| 1. Manzoor S, Hoda N.. (2020) A comprehensive review of monoamine oxidase inhibitors as Anti-Alzheimer's disease agents: A review., 206 [PMID:32942081] [10.1016/j.ejmech.2020.112787] |
Source
Source(1):