| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4589695
Max Phase: Preclinical
Molecular Formula: C24H26F3N5OS
Molecular Weight: 489.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1nc2sc(C(=O)NC[C@@H](C)c3cc(F)c(N4CC5CCC(C4)N5)cc3F)c(N)c2cc1F
Standard InChI: InChI=1S/C24H26F3N5OS/c1-11(8-29-23(33)22-21(28)16-6-17(25)12(2)30-24(16)34-22)15-5-19(27)20(7-18(15)26)32-9-13-3-4-14(10-32)31-13/h5-7,11,13-14,31H,3-4,8-10,28H2,1-2H3,(H,29,33)/t11-,13?,14?/m1/s1
Standard InChI Key: MAHWCFFCPAXVDZ-LMWSTFAQSA-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: 489.57 | Molecular Weight (Monoisotopic): 489.1810 | AlogP: 4.08 | #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: 9.78 | CX LogP: 4.06 | CX LogD: 1.74 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.50 | Np Likeness Score: -1.23 |
References
| 1. (2017) Thienopyridine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):