| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3742035
Max Phase: Preclinical
Molecular Formula: C23H19N
Molecular Weight: 309.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(NC(c2ccccc2)c2ccc3ccccc3c2)cc1
Standard InChI: InChI=1S/C23H19N/c1-3-10-19(11-4-1)23(24-22-13-5-2-6-14-22)21-16-15-18-9-7-8-12-20(18)17-21/h1-17,23-24H
Standard InChI Key: WPJYDTYFROQBPI-UHFFFAOYSA-N
Associated Targets(Human)
Prenyl protein specific protease 365 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: 309.41 | Molecular Weight (Monoisotopic): 309.1517 | AlogP: 6.04 | #Rotatable Bonds: 4 |
| Polar Surface Area: 12.03 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 2.60 | CX LogP: 5.94 | CX LogD: 5.94 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.48 | Np Likeness Score: -0.80 |
References
| 1. Mohammed I, Hampton SE, Ashall L, Hildebrandt ER, Kutlik RA, Manandhar SP, Floyd BJ, Smith HE, Dozier JK, Distefano MD, Schmidt WK, Dore TM.. (2016) 8-Hydroxyquinoline-based inhibitors of the Rce1 protease disrupt Ras membrane localization in human cells., 24 (2): [PMID:26706114] [10.1016/j.bmc.2015.11.043] |
Source
Source(1):