| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4586422
Max Phase: Preclinical
Molecular Formula: C24H28FN5OS
Molecular Weight: 453.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)cc3F)sc2n1
Standard InChI: InChI=1S/C24H28FN5OS/c1-13(10-27-23(31)22-21(26)19-7-3-14(2)28-24(19)32-22)18-8-6-17(9-20(18)25)30-11-15-4-5-16(12-30)29-15/h3,6-9,13,15-16,29H,4-5,10-12,26H2,1-2H3,(H,27,31)/t13-,15?,16?/m0/s1
Standard InChI Key: VFGWBSOLIAYSQU-JEYLPNPQSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 28 268 Activities
Ubiquitin carboxyl-terminal hydrolase 25 268 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 453.59 | Molecular Weight (Monoisotopic): 453.1999 | AlogP: 3.80 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.28 | Molecular Species: BASE | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.85 | CX LogP: 3.78 | CX LogD: 1.39 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.55 | Np Likeness Score: -1.52 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):