| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094708
Max Phase: Preclinical
Molecular Formula: C27H32N4O4
Molecular Weight: 476.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(Cc1ccoc1)C(=O)N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
Standard InChI: InChI=1S/C27H32N4O4/c1-29(16-21-9-14-35-17-21)25(33)30-13-12-27(34,26(18-30)10-5-6-11-26)19-31-20-28-23(15-24(31)32)22-7-3-2-4-8-22/h2-4,7-9,14-15,17,20,34H,5-6,10-13,16,18-19H2,1H3
Standard InChI Key: OVVSNZMGYXBQCP-UHFFFAOYSA-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: 476.58 | Molecular Weight (Monoisotopic): 476.2424 | AlogP: 3.75 | #Rotatable Bonds: 5 |
| Polar Surface Area: 91.81 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 1.68 | CX LogP: 1.83 | CX LogD: 1.83 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.61 | Np Likeness Score: -0.49 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):