| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4779271
Max Phase: Preclinical
Molecular Formula: C22H18N4O2
Molecular Weight: 370.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Nc1ccc(-c2cn(Cc3cccc(-c4ccccc4C(=O)O)c3)nn2)cc1
Standard InChI: InChI=1S/C22H18N4O2/c23-18-10-8-16(9-11-18)21-14-26(25-24-21)13-15-4-3-5-17(12-15)19-6-1-2-7-20(19)22(27)28/h1-12,14H,13,23H2,(H,27,28)
Standard InChI Key: GTGHLXXQTLGQSL-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase isozyme L5 42 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: 370.41 | Molecular Weight (Monoisotopic): 370.1430 | AlogP: 3.94 | #Rotatable Bonds: 5 |
| Polar Surface Area: 94.03 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.79 | CX Basic pKa: 3.02 | CX LogP: 3.81 | CX LogD: 0.94 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.52 | Np Likeness Score: -1.17 |
References
| 1. Gurusingha Arachchige HS,Herath Mudiyanselage PDH,VanHecke GC,Patel K,Cheaito HA,Dou QP,Ahn YH. (2021) Synthesis and evaluation of tiaprofenic acid-derived UCHL5 deubiquitinase inhibitors., 30 [PMID:33341501] [10.1016/j.bmc.2020.115931] |
Source
Source(1):