| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA149125
Max Phase: Preclinical
Molecular Formula: C18H26N2O2
Molecular Weight: 302.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(CCCN)Nc1cc(OC)c(OC)c2ccccc12
Standard InChI: InChI=1S/C18H26N2O2/c1-4-13(8-7-11-19)20-16-12-17(21-2)18(22-3)15-10-6-5-9-14(15)16/h5-6,9-10,12-13,20H,4,7-8,11,19H2,1-3H3
Standard InChI Key: MHIFSCBCQJUTGT-UHFFFAOYSA-N
Associated Targets(non-human)
Monkey 844 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: 302.42 | Molecular Weight (Monoisotopic): 302.1994 | AlogP: 3.79 | #Rotatable Bonds: 8 |
| Polar Surface Area: 56.51 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.20 | CX LogP: 2.84 | CX LogD: 0.23 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.78 | Np Likeness Score: 0.27 |
References
| 1. Archer S, Osei-Gyimah P, Silbering S.. (1980) 4-[(Aminoalkyl)amino]-1,2-dimethoxynaphthalenes as antimalarial agents., 23 (5): [PMID:6770088] [10.1021/jm00179a009] |
Source
Source(1):