| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4294755
Max Phase: Preclinical
Molecular Formula: C23H17FN8O
Molecular Weight: 440.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c(C(=O)Nc2ccccc2)c1
Standard InChI: InChI=1S/C23H17FN8O/c1-32-13-26-20(19-12-15(9-10-25-19)22-28-30-31-29-22)21(32)14-7-8-18(24)17(11-14)23(33)27-16-5-3-2-4-6-16/h2-13H,1H3,(H,27,33)(H,28,29,30,31)
Standard InChI Key: JUOZTTXGXKVWCW-UHFFFAOYSA-N
Associated Targets(Human)
KDM4C Tchem Lysine-specific demethylase 4C (1129 Activities)
KDM2B Tchem Lysine-specific demethylase 2B (347 Activities)
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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: 440.44 | Molecular Weight (Monoisotopic): 440.1509 | AlogP: 3.72 | #Rotatable Bonds: 5 |
| Polar Surface Area: 114.27 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.84 | CX Basic pKa: 2.82 | CX LogP: 3.94 | CX LogD: 2.67 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.43 | Np Likeness Score: -1.74 |
References
| 1. (2016) Histone demethylase inhibitors, |
Source
Source(1):