| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA98104
Max Phase: Preclinical
Molecular Formula: C14H19N
Molecular Weight: 201.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C)c1C1=CCN(C)CC1
Standard InChI: InChI=1S/C14H19N/c1-11-5-4-6-12(2)14(11)13-7-9-15(3)10-8-13/h4-7H,8-10H2,1-3H3
Standard InChI Key: AKODWPTUHCBVGC-UHFFFAOYSA-N
Associated Targets(Human)
Monoamine oxidase 395 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: 201.31 | Molecular Weight (Monoisotopic): 201.1517 | AlogP: 3.02 | #Rotatable Bonds: 1 |
| Polar Surface Area: 3.24 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.35 | CX LogP: 3.38 | CX LogD: 2.38 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.67 | Np Likeness Score: -0.11 |
References
| 1. Good AC, Peterson SJ, Richards WG.. (1993) QSAR's from similarity matrices. Technique validation and application in the comparison of different similarity evaluation methods., 36 (20): [PMID:8411009] [10.1021/jm00072a012] |
Source
Source(1):