| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4585832
Max Phase: Preclinical
Molecular Formula: C23H26F2N6O2S
Molecular Weight: 488.56
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cnc2c(N)c(C(=O)NC[C@H](C)c3cc(F)c(N4CC5CNCC(C4)O5)cc3F)sc2n1
Standard InChI: InChI=1S/C23H26F2N6O2S/c1-11(5-29-22(32)21-19(26)20-23(34-21)30-12(2)6-28-20)15-3-17(25)18(4-16(15)24)31-9-13-7-27-8-14(10-31)33-13/h3-4,6,11,13-14,27H,5,7-10,26H2,1-2H3,(H,29,32)/t11-,13?,14?/m0/s1
Standard InChI Key: ATERIWMKTHLLIK-XGNXJENSSA-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 |
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Properties
| Molecular Weight: 488.56 | Molecular Weight (Monoisotopic): 488.1806 | AlogP: 2.57 | #Rotatable Bonds: 5 |
| Polar Surface Area: 105.40 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.34 | CX LogP: 2.46 | CX LogD: 1.48 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.51 | Np Likeness Score: -1.14 |
References
| 1. (2017) Thienopyrazine carboxamides as ubiquitin-specific protease inhibitors, |
Source
Source(1):