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ID: ALA4284926
Max Phase: Preclinical
Molecular Formula: C20H14FN7
Molecular Weight: 371.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1-c1ccc(F)c2ccccc12
Standard InChI: InChI=1S/C20H14FN7/c1-28-11-23-18(17-10-12(8-9-22-17)20-24-26-27-25-20)19(28)15-6-7-16(21)14-5-3-2-4-13(14)15/h2-11H,1H3,(H,24,25,26,27)
Standard InChI Key: QYGSSBGCBQNYDV-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: 371.38 | Molecular Weight (Monoisotopic): 371.1295 | AlogP: 3.62 | #Rotatable Bonds: 3 |
| Polar Surface Area: 85.17 | Molecular Species: ACID | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.84 | CX Basic pKa: 2.76 | CX LogP: 3.88 | CX LogD: 2.61 |
| Aromatic Rings: 5 | Heavy Atoms: 28 | QED Weighted: 0.52 | Np Likeness Score: -1.34 |
References
| 1. (2016) Histone demethylase inhibitors, |
Source
Source(1):