| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2367778
Max Phase: Preclinical
Molecular Formula: C12H14N2
Molecular Weight: 186.26
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc([C@@H]2C[C@@H]2C2=NCCN2)cc1
Standard InChI: InChI=1S/C12H14N2/c1-2-4-9(5-3-1)10-8-11(10)12-13-6-7-14-12/h1-5,10-11H,6-8H2,(H,13,14)/t10-,11-/m0/s1
Standard InChI Key: FVWFMHXOBWAETG-QWRGUYRKSA-N
Associated Targets(Human)
Nischarin 304 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: 186.26 | Molecular Weight (Monoisotopic): 186.1157 | AlogP: 1.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 24.39 | Molecular Species: BASE | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.59 | CX LogP: 1.57 | CX LogD: -0.78 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.75 | Np Likeness Score: 0.03 |
References
| 1. Quaglia W, Bousquet P, Pigini M, Carotti A, Carrieri A, Dontenwill M, Gentili F, Giannella M, Maranca F, Piergentili A, Brasili L.. (1999) 2-(2-Phenylcyclopropyl)imidazolines: reversed enantioselective interaction at I(1) and I(2) imidazoline receptors., 42 (15): [PMID:10425083] [10.1021/jm991049m] |
Source
Source(1):