| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5190859
Max Phase: Preclinical
Molecular Formula: C25H26N6O6
Molecular Weight: 506.52
Associated Items:
Representations
Canonical SMILES: CC(C)Nc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O
Standard InChI: InChI=1S/C25H26N6O6/c1-14(2)29-20-7-8-21(17-9-18(25(34)35)11-19(10-17)31(36)37)30(24(20)33)13-22(32)28-12-15-3-5-16(6-4-15)23(26)27/h3-11,14,29H,12-13H2,1-2H3,(H3,26,27)(H,28,32)(H,34,35)
Standard InChI Key: FCRZCAMNFHCGEU-UHFFFAOYSA-N
Associated Targets(Human)
Coagulation factor VII/tissue factor 740 Activities
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: 506.52 | Molecular Weight (Monoisotopic): 506.1914 | AlogP: 2.54 | #Rotatable Bonds: 10 |
| Polar Surface Area: 193.44 | Molecular Species: ZWITTERION | HBA: 8 | HBD: 5 |
| #RO5 Violations: 1 | HBA (Lipinski): 12 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 3 |
| CX Acidic pKa: 3.38 | CX Basic pKa: 11.48 | CX LogP: -0.65 | CX LogD: -0.65 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.12 | Np Likeness Score: -1.04 |
References
| 1. Sangwan S, Yadav N, Kumar R, Chauhan S, Dhanda V, Walia P, Duhan A.. (2022) A score years' update in the synthesis and biological evaluation of medicinally important 2-pyridones., 232 [PMID:35219150] [10.1016/j.ejmech.2022.114199] |
Source
Source(1):