| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5207115
Max Phase: Preclinical
Molecular Formula: C17H10N4O5
Molecular Weight: 350.29
Associated Items:
Representations
Canonical SMILES: O=c1[nH]c2ccccc2n2c(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc12
Standard InChI: InChI=1S/C17H10N4O5/c22-17-15-8-7-13(19(15)14-4-2-1-3-12(14)18-17)11-6-5-10(20(23)24)9-16(11)21(25)26/h1-9H,(H,18,22)
Standard InChI Key: VPOAUPYVFYLBKV-UHFFFAOYSA-N
Associated Targets(Human)
MGAM Tclin Maltase-glucoamylase (654 Activities)
PLA2G2A Tchem Phospholipase A2 group IIA (1079 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PLA2G5 Tchem Phospholipase A2 group V (238 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PLA2G10 Tchem Group X secretory phospholipase A2 (219 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PLA2G12A Tbio Group XIIA secretory phospholipase A2 (16 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
PLA2G1B Phospholipase A2 group 1B (227 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: | 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: 350.29 | Molecular Weight (Monoisotopic): 350.0651 | AlogP: 3.26 | #Rotatable Bonds: 3 |
| Polar Surface Area: 123.55 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.42 | CX LogD: 3.42 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.45 | Np Likeness Score: -1.02 |
References
| 1. Jiang X, Wu K, Bai R, Zhang P, Zhang Y.. (2022) Functionalized quinoxalinones as privileged structures with broad-ranging pharmacological activities., 229 [PMID:34998058] [10.1016/j.ejmech.2021.114085] |
Source
Source(1):