| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5070345
Max Phase: Preclinical
Molecular Formula: C31H34F3N5O3
Molecular Weight: 581.64
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CC[C@@](O)(Cn2cnc(-c3ccccc3F)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1cc(F)cc(F)c1
Standard InChI: InChI=1S/C31H34F3N5O3/c32-22-13-21(14-23(33)15-22)27-17-35-10-12-39(27)29(41)37-11-9-31(42,30(18-37)7-3-4-8-30)19-38-20-36-26(16-28(38)40)24-5-1-2-6-25(24)34/h1-2,5-6,13-16,20,27,35,42H,3-4,7-12,17-19H2/t27-,31+/m0/s1
Standard InChI Key: VYPMHYDJGVUYNW-JTSJOTPCSA-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: 581.64 | Molecular Weight (Monoisotopic): 581.2614 | AlogP: 4.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.70 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.28 | CX LogP: 2.64 | CX LogD: 2.39 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.48 | Np Likeness Score: -0.56 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):