| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4777141
Max Phase: Preclinical
Molecular Formula: C30H24N4O4
Molecular Weight: 504.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc(Cn2cc(-c3ccc(NCc4ccccc4)cc3)nn2)cc(-c2ccccc2C(=O)O)c1
Standard InChI: InChI=1S/C30H24N4O4/c35-29(36)24-15-21(14-23(16-24)26-8-4-5-9-27(26)30(37)38)18-34-19-28(32-33-34)22-10-12-25(13-11-22)31-17-20-6-2-1-3-7-20/h1-16,19,31H,17-18H2,(H,35,36)(H,37,38)
Standard InChI Key: SKEZQWSBEZDZJX-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: 504.55 | Molecular Weight (Monoisotopic): 504.1798 | AlogP: 5.67 | #Rotatable Bonds: 9 |
| Polar Surface Area: 117.34 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.57 | CX Basic pKa: 2.82 | CX LogP: 5.54 | CX LogD: -0.56 |
| Aromatic Rings: 5 | Heavy Atoms: 38 | QED Weighted: 0.24 | Np Likeness Score: -1.14 |
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):