| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5084421
Max Phase: Preclinical
Molecular Formula: C32H39N5O3
Molecular Weight: 541.70
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N[C@@H]1CCN(C(=O)N2CC[C@@](O)(Cn3cnc(-c4ccccc4)cc3=O)C3(CCCC3)C2)[C@H](c2ccccc2)C1
Standard InChI: InChI=1S/C32H39N5O3/c33-26-13-17-37(28(19-26)25-11-5-2-6-12-25)30(39)35-18-16-32(40,31(21-35)14-7-8-15-31)22-36-23-34-27(20-29(36)38)24-9-3-1-4-10-24/h1-6,9-12,20,23,26,28,40H,7-8,13-19,21-22,33H2/t26-,28+,32-/m1/s1
Standard InChI Key: HUYPEWSYXZZSSU-OBNYREETSA-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: 541.70 | Molecular Weight (Monoisotopic): 541.3053 | AlogP: 4.19 | #Rotatable Bonds: 4 |
| Polar Surface Area: 104.69 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 9.81 | CX LogP: 1.96 | CX LogD: -0.36 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.52 | Np Likeness Score: -0.20 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):