| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094692
Max Phase: Preclinical
Molecular Formula: C33H40N4O4
Molecular Weight: 556.71
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)N(C)Cc3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1
Standard InChI: InChI=1S/C33H40N4O4/c1-34(2)30(39)28-22-37(29(38)20-27(28)26-14-8-5-9-15-26)24-33(41)18-19-36(23-32(33)16-10-11-17-32)31(40)35(3)21-25-12-6-4-7-13-25/h4-9,12-15,20,22,41H,10-11,16-19,21,23-24H2,1-3H3
Standard InChI Key: AQXJZUGWKCYJJS-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: 556.71 | Molecular Weight (Monoisotopic): 556.3050 | AlogP: 4.47 | #Rotatable Bonds: 6 |
| Polar Surface Area: 86.09 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: | CX LogP: 2.55 | CX LogD: 2.55 |
| Aromatic Rings: 3 | Heavy Atoms: 41 | QED Weighted: 0.49 | Np Likeness Score: -0.58 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):