| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA98544
Max Phase: Preclinical
Molecular Formula: C7H13N
Molecular Weight: 111.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1CC=CCC1
Standard InChI: InChI=1S/C7H13N/c1-2-8-6-4-3-5-7-8/h3-4H,2,5-7H2,1H3
Standard InChI Key: RQCAAFRALKAXRR-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: 111.19 | Molecular Weight (Monoisotopic): 111.1048 | AlogP: 1.27 | #Rotatable Bonds: 1 |
| Polar Surface Area: 3.24 | Molecular Species: BASE | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.57 | CX LogP: 1.19 | CX LogD: -0.96 |
| Aromatic Rings: 0 | Heavy Atoms: 8 | QED Weighted: 0.46 | Np Likeness Score: -0.14 |
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):