| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2426539
Max Phase: Preclinical
Molecular Formula: C23H26FN
Molecular Weight: 335.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)c1ccc([C@H](CF)NCc2cccc3ccccc23)cc1
Standard InChI: InChI=1S/C23H26FN/c1-23(2,3)20-13-11-18(12-14-20)22(15-24)25-16-19-9-6-8-17-7-4-5-10-21(17)19/h4-14,22,25H,15-16H2,1-3H3/t22-/m0/s1
Standard InChI Key: GMOSMMARRWVBGN-QFIPXVFZSA-N
Associated Targets(non-human)
Trichophyton rubrum 3646 Activities
Trichophyton mentagrophytes 4846 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Cryptococcus neoformans 21258 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 335.47 | Molecular Weight (Monoisotopic): 335.2049 | AlogP: 5.94 | #Rotatable Bonds: 5 |
| Polar Surface Area: 12.03 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.41 | CX LogP: 6.05 | CX LogD: 5.74 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.61 | Np Likeness Score: -0.89 |
References
| 1. Thvedt TH, Kaasa K, Sundby E, Charnock C, Hoff BH.. (2013) Chiral N-benzyl-N-methyl-1-(naphthalen-1-yl)ethanamines and their in vitro antifungal activity against Cryptococcus neoformans, Trichophyton mentagrophytes and Trichophyton rubrum., 68 [PMID:24051242] [10.1016/j.ejmech.2013.07.043] |
Source
Source(1):