| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4591938
Max Phase: Preclinical
Molecular Formula: C23H26N4O3S
Molecular Weight: 438.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(N)c(C(=O)NCCc3ccc(O[C@@H]4COC5(CNC5)C4)cc3)sc2n1
Standard InChI: InChI=1S/C23H26N4O3S/c1-14-2-7-18-19(24)20(31-22(18)27-14)21(28)26-9-8-15-3-5-16(6-4-15)30-17-10-23(29-11-17)12-25-13-23/h2-7,17,25H,8-13,24H2,1H3,(H,26,28)/t17-/m0/s1
Standard InChI Key: VQHOZOVCMZMAFY-KRWDZBQOSA-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: 438.55 | Molecular Weight (Monoisotopic): 438.1726 | AlogP: 2.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 98.50 | 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: 8.79 | CX LogP: 2.36 | CX LogD: 0.96 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.55 | Np Likeness Score: -0.83 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):