| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4592617
Max Phase: Preclinical
Molecular Formula: C23H29N5O2S
Molecular Weight: 439.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1
Standard InChI: InChI=1S/C23H29N5O2S/c1-15(2)30-19-8-7-18-20(24)21(31-23(18)27-19)22(29)26-10-9-16-3-5-17(6-4-16)28-13-11-25-12-14-28/h3-8,15,25H,9-14,24H2,1-2H3,(H,26,29)
Standard InChI Key: YXWKADMTDCTMNI-UHFFFAOYSA-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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 439.59 | Molecular Weight (Monoisotopic): 439.2042 | AlogP: 3.05 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.51 | 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: 8.89 | CX LogP: 3.82 | CX LogD: 2.33 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.52 | Np Likeness Score: -1.63 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):