| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4514791
Max Phase: Preclinical
Molecular Formula: C22H28ClN5OS
Molecular Weight: 409.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(N)c(C(=O)NC[C@H](C)c3ccc(N4CCNCC4)cc3)sc2n1.Cl
Standard InChI: InChI=1S/C22H27N5OS.ClH/c1-14(16-4-6-17(7-5-16)27-11-9-24-10-12-27)13-25-21(28)20-19(23)18-8-3-15(2)26-22(18)29-20;/h3-8,14,24H,9-13,23H2,1-2H3,(H,25,28);1H/t14-;/m0./s1
Standard InChI Key: RSMDWFFQEOQABE-UQKRIMTDSA-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 |
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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: 409.56 | Molecular Weight (Monoisotopic): 409.1936 | AlogP: 3.13 | #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: 8.89 | CX LogP: 3.11 | CX LogD: 1.62 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.60 | Np Likeness Score: -1.73 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):