| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094484
Max Phase: Preclinical
Molecular Formula: C28H37N5O3
Molecular Weight: 491.64
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(N1CCC(O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1)N1CCNCC1C1CC1
Standard InChI: InChI=1S/C28H37N5O3/c34-25-16-23(21-6-2-1-3-7-21)30-20-32(25)19-28(36)12-14-31(18-27(28)10-4-5-11-27)26(35)33-15-13-29-17-24(33)22-8-9-22/h1-3,6-7,16,20,22,24,29,36H,4-5,8-15,17-19H2
Standard InChI Key: UPZYAYLYAUWPGP-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: 491.64 | Molecular Weight (Monoisotopic): 491.2896 | AlogP: 2.71 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.70 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.95 | CX LogP: 1.27 | CX LogD: 0.61 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.69 | Np Likeness Score: -0.33 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):