| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094389
Max Phase: Preclinical
Molecular Formula: C29H37N7O3
Molecular Weight: 531.66
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CCC(O)(Cn2cnc3c(cnn3C3CC3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
Standard InChI: InChI=1S/C29H37N7O3/c37-26-23-16-32-36(22-8-9-22)25(23)31-20-34(26)19-29(39)12-14-33(18-28(29)10-4-5-11-28)27(38)35-15-13-30-17-24(35)21-6-2-1-3-7-21/h1-3,6-7,16,20,22,24,30,39H,4-5,8-15,17-19H2/t24-,29?/m0/s1
Standard InChI Key: TVXXORFVPJTKIX-CTLOQAHHSA-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: 531.66 | Molecular Weight (Monoisotopic): 531.2958 | AlogP: 2.69 | #Rotatable Bonds: 4 |
| Polar Surface Area: 108.52 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.48 | CX LogP: 1.18 | CX LogD: 0.84 |
| Aromatic Rings: 3 | Heavy Atoms: 39 | QED Weighted: 0.54 | Np Likeness Score: -0.61 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):