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ID: ALA5200953
Max Phase: Preclinical
Molecular Formula: C17H12N2O3
Molecular Weight: 292.29
Associated Items:
Representations
Canonical SMILES: O=c1[nH]c2ccccc2n2c(-c3ccc(O)cc3O)ccc12
Standard InChI: InChI=1S/C17H12N2O3/c20-10-5-6-11(16(21)9-10)13-7-8-15-17(22)18-12-3-1-2-4-14(12)19(13)15/h1-9,20-21H,(H,18,22)
Standard InChI Key: LXXZIOLLXUZZEJ-UHFFFAOYSA-N
Associated Targets(Human)
MGAM Tclin Maltase-glucoamylase (654 Activities)
PLA2G2A Tchem Phospholipase A2 group IIA (1079 Activities)
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PLA2G5 Tchem Phospholipase A2 group V (238 Activities)
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PLA2G10 Tchem Group X secretory phospholipase A2 (219 Activities)
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PLA2G12A Tbio Group XIIA secretory phospholipase A2 (16 Activities)
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Associated Targets(non-human)
PLA2G1B Phospholipase A2 group 1B (227 Activities)
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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 |
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Mechanisms of Action
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Properties
| Molecular Weight: 292.29 | Molecular Weight (Monoisotopic): 292.0848 | AlogP: 2.86 | #Rotatable Bonds: 1 |
| Polar Surface Area: 77.73 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.90 | CX Basic pKa: | CX LogP: 2.93 | CX LogD: 2.92 |
| Aromatic Rings: 4 | Heavy Atoms: 22 | QED Weighted: 0.50 | Np Likeness Score: -0.04 |
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):