| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA148495
Max Phase: Preclinical
Molecular Formula: C21H32N2O2
Molecular Weight: 344.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCCC(C)Nc1cc(OC)c(OC)c2ccccc12
Standard InChI: InChI=1S/C21H32N2O2/c1-6-23(7-2)14-10-11-16(3)22-19-15-20(24-4)21(25-5)18-13-9-8-12-17(18)19/h8-9,12-13,15-16,22H,6-7,10-11,14H2,1-5H3
Standard InChI Key: LQJXDOBPFNGTKD-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: 344.50 | Molecular Weight (Monoisotopic): 344.2464 | AlogP: 4.78 | #Rotatable Bonds: 10 |
| Polar Surface Area: 33.73 | Molecular Species: BASE | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.32 | CX LogP: 3.85 | CX LogD: 1.02 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.67 | Np Likeness Score: -0.49 |
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):