| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094696
Max Phase: Preclinical
Molecular Formula: C27H44F3N3O3
Molecular Weight: 515.66
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](CC(F)(F)F)C(=O)N1CCC(O)(CN2CCN(C3CCC(C)(C)CC3)CC2=O)C2(CCCC2)C1
Standard InChI: InChI=1S/C27H44F3N3O3/c1-20(16-27(28,29)30)23(35)33-13-12-26(36,25(18-33)8-4-5-9-25)19-32-15-14-31(17-22(32)34)21-6-10-24(2,3)11-7-21/h20-21,36H,4-19H2,1-3H3/t20-,26?/m1/s1
Standard InChI Key: OPCBYDXNWVQVDU-TUHVGIAZSA-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: 515.66 | Molecular Weight (Monoisotopic): 515.3335 | AlogP: 4.21 | #Rotatable Bonds: 5 |
| Polar Surface Area: 64.09 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.89 | CX Basic pKa: 7.33 | CX LogP: 3.29 | CX LogD: 3.02 |
| Aromatic Rings: 0 | Heavy Atoms: 36 | QED Weighted: 0.60 | Np Likeness Score: 0.06 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):