| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5093513
Max Phase: Preclinical
Molecular Formula: C27H26FN5O4S
Molecular Weight: 535.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=S(=O)(c1ccc(-c2ncco2)c(F)c1)N1Cc2cnc(C(O)c3cccc(N4CCNCC4)c3)cc2C1
Standard InChI: InChI=1S/C27H26FN5O4S/c28-24-14-22(4-5-23(24)27-30-8-11-37-27)38(35,36)33-16-19-13-25(31-15-20(19)17-33)26(34)18-2-1-3-21(12-18)32-9-6-29-7-10-32/h1-5,8,11-15,26,29,34H,6-7,9-10,16-17H2
Standard InChI Key: HAEVTSQPBFZEOI-UHFFFAOYSA-N
Associated Targets(Human)
Probable ubiquitin carboxyl-terminal hydrolase FAF-X 500 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: 535.60 | Molecular Weight (Monoisotopic): 535.1690 | AlogP: 3.07 | #Rotatable Bonds: 6 |
| Polar Surface Area: 111.80 | Molecular Species: BASE | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.11 | CX Basic pKa: 8.88 | CX LogP: 2.22 | CX LogD: 0.73 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.39 | Np Likeness Score: -1.12 |
References
| 1. (2020) Inhibiting ubiquitin specific peptidase 9x, |
Source
Source(1):