The store will not work correctly when cookies are disabled.
ID: ALA4078114
Max Phase: Preclinical
Molecular Formula: C18H38N2
Molecular Weight: 282.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCCCCCCCN1CCNCC1
Standard InChI: InChI=1S/C18H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-20-17-14-19-15-18-20/h19H,2-18H2,1H3
Standard InChI Key: JSLGTGABAFGQEF-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 282.52 | Molecular Weight (Monoisotopic): 282.3035 | AlogP: 4.59 | #Rotatable Bonds: 13 |
| Polar Surface Area: 15.27 | 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: 9.38 | CX LogP: 5.42 | CX LogD: 3.45 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.50 | Np Likeness Score: -0.45 |
References
| 1. Thamban Chandrika N, Shrestha SK, Ngo HX, Tsodikov OV, Howard KC, Garneau-Tsodikova S.. (2018) Alkylated Piperazines and Piperazine-Azole Hybrids as Antifungal Agents., 61 (1): [PMID:29256601] [10.1021/acs.jmedchem.7b01138] |
