| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3189098
Max Phase: Preclinical
Molecular Formula: C23H27N5O
Molecular Weight: 389.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cnc(-c2ccccc2CO)nc1NCC1CCN(c2cccnc2)CC1
Standard InChI: InChI=1S/C23H27N5O/c1-17-13-25-23(21-7-3-2-5-19(21)16-29)27-22(17)26-14-18-8-11-28(12-9-18)20-6-4-10-24-15-20/h2-7,10,13,15,18,29H,8-9,11-12,14,16H2,1H3,(H,25,26,27)
Standard InChI Key: FGGXEKCEKSVTSG-UHFFFAOYSA-N
Associated Targets(Human)
Ubiquitin carboxyl-terminal hydrolase 1 22556 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 389.50 | Molecular Weight (Monoisotopic): 389.2216 | AlogP: 3.67 | #Rotatable Bonds: 6 |
| Polar Surface Area: 74.17 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.88 | CX LogP: 3.54 | CX LogD: 3.54 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.67 | Np Likeness Score: -1.04 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):