| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5076074
Max Phase: Preclinical
Molecular Formula: C32H39N5O3
Molecular Weight: 541.70
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@@]1(c2ccccc2)CNCCN1C(=O)N1CC[C@@](O)(Cn2cnc(-c3ccccc3)cc2=O)C2(CCCC2)C1
Standard InChI: InChI=1S/C32H39N5O3/c1-30(26-12-6-3-7-13-26)21-33-17-19-37(30)29(39)35-18-16-32(40,31(22-35)14-8-9-15-31)23-36-24-34-27(20-28(36)38)25-10-4-2-5-11-25/h2-7,10-13,20,24,33,40H,8-9,14-19,21-23H2,1H3/t30-,32+/m0/s1
Standard InChI Key: PVMMGYCTRFCPMW-XDFJSJKPSA-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: 541.70 | Molecular Weight (Monoisotopic): 541.3053 | AlogP: 3.85 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.70 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.88 | CX Basic pKa: 7.63 | CX LogP: 2.49 | CX LogD: 2.06 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.52 | Np Likeness Score: -0.21 |
References
| 1. (2020) Pharmaceutical compounds and their use as inhibitors of ubiquitin specific protease 19 (usp19), |
Source
Source(1):