| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4587318
Max Phase: Preclinical
Molecular Formula: C23H27FN6OS
Molecular Weight: 454.58
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CC5CCC(C4)N5)cc3F)sc2n1
Standard InChI: InChI=1S/C23H27FN6OS/c1-12(8-27-22(31)21-19(25)20-23(32-21)28-13(2)9-26-20)17-6-5-16(7-18(17)24)30-10-14-3-4-15(11-30)29-14/h5-7,9,12,14-15,29H,3-4,8,10-11,25H2,1-2H3,(H,27,31)/t12-,14?,15?/m0/s1
Standard InChI Key: NIXDZSNCCISJBK-GRTSSRMGSA-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: 454.58 | Molecular Weight (Monoisotopic): 454.1951 | AlogP: 3.20 | #Rotatable Bonds: 5 |
| Polar Surface Area: 96.17 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.85 | CX LogP: 2.94 | CX LogD: 0.55 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.55 | Np Likeness Score: -1.40 |
References
| 1. (2017) Thienopyrazine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):