| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094703
Max Phase: Preclinical
Molecular Formula: C32H39N3O4
Molecular Weight: 529.68
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)N(C)C(=O)c1cn(CC2(O)CCN(C(=O)C[C@@H](C)c3ccccc3)CC2)c(=O)cc1-c1ccccc1
Standard InChI: InChI=1S/C32H39N3O4/c1-23(2)33(4)31(38)28-21-35(30(37)20-27(28)26-13-9-6-10-14-26)22-32(39)15-17-34(18-16-32)29(36)19-24(3)25-11-7-5-8-12-25/h5-14,20-21,23-24,39H,15-19,22H2,1-4H3/t24-/m1/s1
Standard InChI Key: KGUJKZJYMJQXAQ-XMMPIXPASA-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: 529.68 | Molecular Weight (Monoisotopic): 529.2941 | AlogP: 4.54 | #Rotatable Bonds: 8 |
| Polar Surface Area: 82.85 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 0.02 | CX LogP: 2.66 | CX LogD: 2.66 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.46 | Np Likeness Score: -0.76 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):