| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094508
Max Phase: Preclinical
Molecular Formula: C26H28FN3O4
Molecular Weight: 465.53
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](CC(=O)N1CCC(O)(Cn2cnc(Oc3ccc(F)cc3)cc2=O)CC1)c1ccccc1
Standard InChI: InChI=1S/C26H28FN3O4/c1-19(20-5-3-2-4-6-20)15-24(31)29-13-11-26(33,12-14-29)17-30-18-28-23(16-25(30)32)34-22-9-7-21(27)8-10-22/h2-10,16,18-19,33H,11-15,17H2,1H3/t19-/m1/s1
Standard InChI Key: YXXYUFKVCWCHRO-LJQANCHMSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 19 667 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: 465.53 | Molecular Weight (Monoisotopic): 465.2064 | AlogP: 3.72 | #Rotatable Bonds: 7 |
| Polar Surface Area: 84.66 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.80 | CX LogD: 2.80 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.57 | Np Likeness Score: -0.99 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):