| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5197169
Max Phase: Preclinical
Molecular Formula: C19H13N3O3
Molecular Weight: 331.33
Associated Items:
Representations
Canonical SMILES: O=C1CN=C(c2c[nH]c3ccc(O)cc23)c2c(O)ccc3[nH]cc1c23
Standard InChI: InChI=1S/C19H13N3O3/c23-9-1-2-13-10(5-9)11(6-20-13)19-18-15(24)4-3-14-17(18)12(7-21-14)16(25)8-22-19/h1-7,20-21,23-24H,8H2
Standard InChI Key: ZTNYPQDYAIUZNW-UHFFFAOYSA-N
Associated Targets(non-human)
Trichophyton mentagrophytes 4846 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 331.33 | Molecular Weight (Monoisotopic): 331.0957 | AlogP: 3.09 | #Rotatable Bonds: 1 |
| Polar Surface Area: 101.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.91 | CX Basic pKa: 3.10 | CX LogP: 2.52 | CX LogD: 2.40 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.43 | Np Likeness Score: 0.79 |
References
| 1. Almeida MC, Resende DISP, da Costa PM, Pinto MMM, Sousa E.. (2021) Tryptophan derived natural marine alkaloids and synthetic derivatives as promising antimicrobial agents., 209 [PMID:33153766] [10.1016/j.ejmech.2020.112945] |
Source
Source(1):