| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2426533
Max Phase: Preclinical
Molecular Formula: C26H33N
Molecular Weight: 359.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C(C)(C)C)cc(C)c1CN(C)[C@H](C)c1cccc2ccccc12
Standard InChI: InChI=1S/C26H33N/c1-18-15-22(26(4,5)6)16-19(2)25(18)17-27(7)20(3)23-14-10-12-21-11-8-9-13-24(21)23/h8-16,20H,17H2,1-7H3/t20-/m1/s1
Standard InChI Key: WXCGLKJLEYYBFB-HXUWFJFHSA-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: 359.56 | Molecular Weight (Monoisotopic): 359.2613 | AlogP: 6.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 3.24 | Molecular Species: BASE | HBA: 1 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 9.52 | CX LogP: 7.62 | CX LogD: 5.52 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.49 | Np Likeness Score: -0.79 |
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):