| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094417
Max Phase: Preclinical
Molecular Formula: C26H34N4O3
Molecular Weight: 450.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(CC1CC1)C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
Standard InChI: InChI=1S/C26H34N4O3/c1-28(16-20-9-10-20)24(32)29-14-13-26(33,25(17-29)11-5-6-12-25)18-30-19-27-22(15-23(30)31)21-7-3-2-4-8-21/h2-4,7-8,15,19-20,33H,5-6,9-14,16-18H2,1H3/t26-/m1/s1
Standard InChI Key: LRELSIHIKGAYKM-AREMUKBSSA-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: 450.58 | Molecular Weight (Monoisotopic): 450.2631 | AlogP: 3.37 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.67 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 1.69 | CX LogP: 1.74 | CX LogD: 1.74 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.76 | Np Likeness Score: -0.60 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):