| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094701
Max Phase: Preclinical
Molecular Formula: C34H47N3O5
Molecular Weight: 577.77
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](CC1CCCCC1)C(=O)N1CCC(O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C(C)(C)C1
Standard InChI: InChI=1S/C34H47N3O5/c1-25(20-26-10-6-4-7-11-26)31(39)36-15-14-34(41,33(2,3)23-36)24-37-22-29(32(40)35-16-18-42-19-17-35)28(21-30(37)38)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,41H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25-,34?/m1/s1
Standard InChI Key: WGCKUDGWLLGKES-HSGLFRJESA-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: 577.77 | Molecular Weight (Monoisotopic): 577.3516 | AlogP: 4.58 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.08 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.90 | CX Basic pKa: 0.59 | CX LogP: 3.36 | CX LogD: 3.36 |
| Aromatic Rings: 2 | Heavy Atoms: 42 | QED Weighted: 0.52 | Np Likeness Score: -0.38 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):