| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3740198
Max Phase: Preclinical
Molecular Formula: C26H20N2O
Molecular Weight: 376.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2cc3ccccc3nc12
Standard InChI: InChI=1S/C26H20N2O/c29-26-22(16-15-20-17-19-11-7-8-14-23(19)28-25(20)26)24(18-9-3-1-4-10-18)27-21-12-5-2-6-13-21/h1-17,24,27,29H
Standard InChI Key: QLMFMTVYQKSVHQ-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: 376.46 | Molecular Weight (Monoisotopic): 376.1576 | AlogP: 6.30 | #Rotatable Bonds: 4 |
| Polar Surface Area: 45.15 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.26 | CX Basic pKa: 4.79 | CX LogP: 6.18 | CX LogD: 6.18 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.36 | Np Likeness Score: -0.75 |
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):