| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3937487
Max Phase: Preclinical
Molecular Formula: C17H11NO3
Molecular Weight: 277.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1c2ccccc2C(=O)C2OC(c3ccccc3)=NC12
Standard InChI: InChI=1S/C17H11NO3/c19-14-11-8-4-5-9-12(11)15(20)16-13(14)18-17(21-16)10-6-2-1-3-7-10/h1-9,13,16H
Standard InChI Key: JMNKNUXYPDLLAL-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 1/WD repeat-containing protein 48 106 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 277.28 | Molecular Weight (Monoisotopic): 277.0739 | AlogP: 2.28 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.73 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.34 | CX Basic pKa: 0.39 | CX LogP: 2.72 | CX LogD: 2.72 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.80 | Np Likeness Score: 0.36 |
References
| 1. Korzhnev DM, Hadden MK.. (2016) Targeting the Translesion Synthesis Pathway for the Development of Anti-Cancer Chemotherapeutics., 59 (20): [PMID:27362876] [10.1021/acs.jmedchem.6b00596] |
Source
Source(1):