| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094529
Max Phase: Preclinical
Molecular Formula: C28H30F2N4O3
Molecular Weight: 508.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(NCc1ccc(F)cc1F)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
Standard InChI: InChI=1S/C28H30F2N4O3/c29-22-9-8-21(23(30)14-22)16-31-26(36)33-13-12-28(37,27(17-33)10-4-5-11-27)18-34-19-32-24(15-25(34)35)20-6-2-1-3-7-20/h1-3,6-9,14-15,19,37H,4-5,10-13,16-18H2,(H,31,36)/t28-/m1/s1
Standard InChI Key: KXYFROISUPRDTH-MUUNZHRXSA-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: 508.57 | Molecular Weight (Monoisotopic): 508.2286 | AlogP: 4.10 | #Rotatable Bonds: 5 |
| Polar Surface Area: 87.46 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.78 | CX Basic pKa: 1.75 | CX LogP: 2.75 | CX LogD: 2.75 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.54 | Np Likeness Score: -1.11 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):