| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094785
Max Phase: Preclinical
Molecular Formula: C34H36N4O5
Molecular Weight: 580.69
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1cn(CC2(O)CCN(C(=O)c3ncoc3-c3ccccc3)CC23CCCC3)c(=O)cc1-c1ccccc1
Standard InChI: InChI=1S/C34H36N4O5/c1-36(2)31(40)27-20-38(28(39)19-26(27)24-11-5-3-6-12-24)22-34(42)17-18-37(21-33(34)15-9-10-16-33)32(41)29-30(43-23-35-29)25-13-7-4-8-14-25/h3-8,11-14,19-20,23,42H,9-10,15-18,21-22H2,1-2H3
Standard InChI Key: JGZZCVDFNAPRQB-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: 580.69 | Molecular Weight (Monoisotopic): 580.2686 | AlogP: 4.71 | #Rotatable Bonds: 6 |
| Polar Surface Area: 108.88 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: | CX LogP: 2.47 | CX LogD: 2.47 |
| Aromatic Rings: 4 | Heavy Atoms: 43 | QED Weighted: 0.35 | Np Likeness Score: -0.53 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):