| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094837
Max Phase: Preclinical
Molecular Formula: C33H47N3O5
Molecular Weight: 565.76
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC[C@H](CC1CCCCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N(C)C)c(-c3ccccc3)cc2=O)C(C)(C)C1
Standard InChI: InChI=1S/C33H47N3O5/c1-32(2)22-35(30(38)26(21-41-5)18-24-12-8-6-9-13-24)17-16-33(32,40)23-36-20-28(31(39)34(3)4)27(19-29(36)37)25-14-10-7-11-15-25/h7,10-11,14-15,19-20,24,26,40H,6,8-9,12-13,16-18,21-23H2,1-5H3/t26-,33+/m0/s1
Standard InChI Key: VVDXKRJCURTCMH-OOOSNSGVSA-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: 565.76 | Molecular Weight (Monoisotopic): 565.3516 | AlogP: 4.44 | #Rotatable Bonds: 9 |
| 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: 0.68 | CX LogP: 2.94 | CX LogD: 2.94 |
| Aromatic Rings: 2 | Heavy Atoms: 41 | QED Weighted: 0.49 | Np Likeness Score: -0.29 |
References
| 1. (2020) Usp19 inhibitors for use in therapy, |
Source
Source(1):