| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3740249
Max Phase: Preclinical
Molecular Formula: C23H19NO
Molecular Weight: 325.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1c(C(Nc2ccccc2)c2ccccc2)ccc2ccccc12
Standard InChI: InChI=1S/C23H19NO/c25-23-20-14-8-7-9-17(20)15-16-21(23)22(18-10-3-1-4-11-18)24-19-12-5-2-6-13-19/h1-16,22,24-25H
Standard InChI Key: DOQQFJOMPXDRBO-UHFFFAOYSA-N
Associated Targets(Human)
Prenyl protein specific protease 365 Activities
CAAX prenyl protease 1 homolog 44 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: 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 |
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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: 325.41 | Molecular Weight (Monoisotopic): 325.1467 | AlogP: 5.75 | #Rotatable Bonds: 4 |
| Polar Surface Area: 32.26 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.75 | CX Basic pKa: 2.51 | CX LogP: 5.64 | CX LogD: 5.62 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.50 | Np Likeness Score: -0.60 |
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):