| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271687
Max Phase: Preclinical
Molecular Formula: C22H18O5
Molecular Weight: 362.38
Associated Items:
Representations
Canonical SMILES: C[C@@]12CCCc3c(CCO)oc(c31)C(=O)c1cc3c(cc12)C(=O)C=CC3=O
Standard InChI: InChI=1S/C22H18O5/c1-22-7-2-3-11-18(6-8-23)27-21(19(11)22)20(26)14-9-12-13(10-15(14)22)17(25)5-4-16(12)24/h4-5,9-10,23H,2-3,6-8H2,1H3/t22-/m0/s1
Standard InChI Key: GCRWIRMANPDQFP-QFIPXVFZSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 7 837 Activities
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 362.38 | Molecular Weight (Monoisotopic): 362.1154 | AlogP: 2.94 | #Rotatable Bonds: 2 |
| Polar Surface Area: 84.58 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.43 | CX LogD: 2.43 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.89 | Np Likeness Score: 1.54 |
References
| 1. Li P, Liu HM.. (2020) Recent advances in the development of ubiquitin-specific-processing protease 7 (USP7) inhibitors., 191 [PMID:32092586] [10.1016/j.ejmech.2020.112107] |
Source
Source(1):