| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4591374
Max Phase: Preclinical
Molecular Formula: C22H27N5O2S
Molecular Weight: 425.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C[C@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1
Standard InChI: InChI=1S/C22H27N5O2S/c1-14(28)18-7-6-17-19(23)20(30-22(17)26-18)21(29)25-9-8-15-2-4-16(5-3-15)27-12-10-24-11-13-27/h2-7,14,24,28H,8-13,23H2,1H3,(H,25,29)/t14-/m0/s1
Standard InChI Key: BNTQUFKUUAKTHO-AWEZNQCLSA-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: 425.56 | Molecular Weight (Monoisotopic): 425.1885 | AlogP: 2.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 103.51 | Molecular Species: BASE | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.89 | CX LogP: 2.50 | CX LogD: 1.00 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.48 | Np Likeness Score: -1.35 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):