| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2426542
Max Phase: Preclinical
Molecular Formula: C24H28FN
Molecular Weight: 349.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(Cc1cccc2ccccc12)[C@H](CF)c1ccc(C(C)(C)C)cc1
Standard InChI: InChI=1S/C24H28FN/c1-24(2,3)21-14-12-19(13-15-21)23(16-25)26(4)17-20-10-7-9-18-8-5-6-11-22(18)20/h5-15,23H,16-17H2,1-4H3/t23-/m1/s1
Standard InChI Key: FOAWGXQIJRNWAL-HSZRJFAPSA-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: 349.49 | Molecular Weight (Monoisotopic): 349.2206 | AlogP: 6.28 | #Rotatable Bonds: 5 |
| Polar Surface Area: 3.24 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.72 | CX LogP: 6.43 | CX LogD: 5.95 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.52 | Np Likeness Score: -0.95 |
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):