| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1429210
Max Phase: Preclinical
Molecular Formula: C22H24N4O4
Molecular Weight: 408.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCn1c(O)c(N=NC(=O)CNC(=O)Cc2ccc(OC)cc2)c2ccccc21
Standard InChI: InChI=1S/C22H24N4O4/c1-3-12-26-18-7-5-4-6-17(18)21(22(26)29)25-24-20(28)14-23-19(27)13-15-8-10-16(30-2)11-9-15/h4-11,29H,3,12-14H2,1-2H3,(H,23,27)
Standard InChI Key: AMYRUXAJQVBFNJ-UHFFFAOYSA-N
Associated Targets(Human)
Chromobox protein homolog 1 92434 Activities
Muscleblind-like protein 1 34431 Activities
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Associated Targets(non-human)
CAAX prenyl protease 2 349 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: 408.46 | Molecular Weight (Monoisotopic): 408.1798 | AlogP: 3.73 | #Rotatable Bonds: 8 |
| Polar Surface Area: 105.28 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.57 | CX Basic pKa: | CX LogP: 3.16 | CX LogD: 3.16 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.55 | Np Likeness Score: -1.06 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):