| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4785714
Max Phase: Preclinical
Molecular Formula: C19H14O6S
Molecular Weight: 370.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C(=O)O)c1ccc(C(=O)c2cccc(-c3occc3C(=O)O)c2)s1
Standard InChI: InChI=1S/C19H14O6S/c1-10(18(21)22)14-5-6-15(26-14)16(20)11-3-2-4-12(9-11)17-13(19(23)24)7-8-25-17/h2-10H,1H3,(H,21,22)(H,23,24)
Standard InChI Key: OBVPXZZNHDKFLW-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: 370.38 | Molecular Weight (Monoisotopic): 370.0511 | AlogP: 4.13 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.81 | Molecular Species: ACID | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.87 | CX Basic pKa: | CX LogP: 4.02 | CX LogD: -2.04 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.63 | Np Likeness Score: -0.24 |
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):