| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094385
Max Phase: Preclinical
Molecular Formula: C28H30FN3O3
Molecular Weight: 475.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](Cc1ccccc1)C(=O)N1C[C@H]2CC[C@@H](C1)C2(O)Cn1cnc(-c2ccccc2F)cc1=O
Standard InChI: InChI=1S/C28H30FN3O3/c1-19(13-20-7-3-2-4-8-20)27(34)31-15-21-11-12-22(16-31)28(21,35)17-32-18-30-25(14-26(32)33)23-9-5-6-10-24(23)29/h2-10,14,18-19,21-22,35H,11-13,15-17H2,1H3/t19-,21-,22+,28?/m1/s1
Standard InChI Key: KJENQSPNTIHZHA-AGSMGJQJSA-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: 475.56 | Molecular Weight (Monoisotopic): 475.2271 | AlogP: 3.53 | #Rotatable Bonds: 6 |
| Polar Surface Area: 75.43 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.87 | CX Basic pKa: 0.52 | CX LogP: 2.91 | CX LogD: 2.91 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.59 | Np Likeness Score: -0.62 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):