| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093213
Max Phase: Preclinical
Molecular Formula: C26H24N8
Molecular Weight: 448.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cn1cc([C@@H](Nc2cc(-c3ccc4ccn(C)c4c3)c3nccnc3c2)c2cncn2C)cn1
Standard InChI: InChI=1S/C26H24N8/c1-32-9-6-17-4-5-18(10-23(17)32)21-11-20(12-22-26(21)29-8-7-28-22)31-25(19-13-30-34(3)15-19)24-14-27-16-33(24)2/h4-16,25,31H,1-3H3/t25-/m1/s1
Standard InChI Key: RMBDRWCPHIFSER-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: 448.53 | Molecular Weight (Monoisotopic): 448.2124 | AlogP: 4.46 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.38 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.14 | CX LogP: 2.70 | CX LogD: 2.69 |
| Aromatic Rings: 6 | Heavy Atoms: 34 | QED Weighted: 0.42 | Np Likeness Score: -1.18 |
References
| 1. (2019) Substituted quinoxaline derivatives as inhibitors of pfkfb, |
Source
Source(1):