| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271414
Max Phase: Preclinical
Molecular Formula: C31H44O4
Molecular Weight: 480.69
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)[C@]4(C)CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1
Standard InChI: InChI=1S/C31H44O4/c1-19-20-9-10-30(6)28(4,21(20)17-22(32)24(19)33)14-15-29(5)23-18-27(3,25(34)35-8)12-11-26(23,2)13-16-31(29,30)7/h9,17,23,33H,10-16,18H2,1-8H3/t23-,26-,27-,28+,29+,30-,31+/m1/s1
Standard InChI Key: OKLMGIVTNMNOJC-WJBLAYPYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 7 837 Activities
Molecule Features
| Natural Product: No | 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: 480.69 | Molecular Weight (Monoisotopic): 480.3240 | AlogP: 7.26 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.85 | CX Basic pKa: | CX LogP: 6.18 | CX LogD: 6.18 |
| Aromatic Rings: 0 | Heavy Atoms: 35 | QED Weighted: 0.40 | Np Likeness Score: 2.70 |
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):