| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093876
Max Phase: Preclinical
Molecular Formula: C25H23N9
Molecular Weight: 449.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1ccc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cnnn2C)n1
Standard InChI: InChI=1S/C25H23N9/c1-32-10-6-16-4-5-17(12-22(16)32)19-13-18(14-21-24(19)27-9-8-26-21)29-25(20-7-11-33(2)30-20)23-15-28-31-34(23)3/h4-15,25,29H,1-3H3/t25-/m1/s1
Standard InChI Key: OUAJNDMESMVYOP-RUZDIDTESA-N
Associated Targets(Human)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3 1469 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 449.52 | Molecular Weight (Monoisotopic): 449.2076 | AlogP: 3.85 | #Rotatable Bonds: 5 |
| Polar Surface Area: 91.27 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.22 | CX LogP: 2.88 | CX LogD: 2.88 |
| Aromatic Rings: 6 | Heavy Atoms: 34 | QED Weighted: 0.43 | Np Likeness Score: -1.29 |
References
| 1. (2019) Substituted quinoxaline derivatives as inhibitors of pfkfb, |
Source
Source(1):