| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3273500
Max Phase: Preclinical
Molecular Formula: C22H21Cl2FN2O5
Molecular Weight: 393.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(OCCCC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=C(O)C(=O)O
Standard InChI: InChI=1S/C20H19Cl2FN2O.C2H2O4/c21-16-3-8-19(20(22)12-16)15(13-25-10-9-24-14-25)2-1-11-26-18-6-4-17(23)5-7-18;3-1(4)2(5)6/h3-10,12,14-15H,1-2,11,13H2;(H,3,4)(H,5,6)
Standard InChI Key: DZOAHDPNBJQKLC-UHFFFAOYSA-N
Associated Targets(non-human)
Microsporum canis 872 Activities
Trichophyton mentagrophytes 4846 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Trichophyton rubrum 3646 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 |
|---|
Candida tropicalis 8381 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Candida albicans 78123 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mucor 407 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Aspergillus fumigatus 16427 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Sporothrix schenckii 1580 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Saprolegnia 139 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phialophora verrucosa 139 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Erysipelothrix rhusiopathiae 118 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Staphylococcus haemolyticus 1695 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Streptococcus pyogenes 16140 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: 393.29 | Molecular Weight (Monoisotopic): 392.0858 | AlogP: 5.97 | #Rotatable Bonds: 8 |
| Polar Surface Area: 27.05 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.52 | CX LogP: 5.59 | CX LogD: 5.55 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.44 | Np Likeness Score: -1.25 |
References
| 1. Heeres J, Backx LJ, Cutsem JV.. (1977) Antimycotic imidazoles. 3. Synthesis and antimycotic properties of 1-[2-(aryloxyalkyl)-2-phenylethyl]-1H-imidazoles., 20 (11): [PMID:915917] [10.1021/jm00221a033] |
Source
Source(1):