| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4283409
Max Phase: Preclinical
Molecular Formula: C14H9ClN6
Molecular Weight: 296.72
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1cccc(-n2cnc(-c3cc4[nH]nnc4cn3)c2)c1
Standard InChI: InChI=1S/C14H9ClN6/c15-9-2-1-3-10(4-9)21-7-14(17-8-21)11-5-12-13(6-16-11)19-20-18-12/h1-8H,(H,18,19,20)
Standard InChI Key: JBJDLWPSFZCGLI-UHFFFAOYSA-N
Associated Targets(Human)
KDM2B Tchem Lysine-specific demethylase 2B (347 Activities)
KDM2A Tchem Lysine-specific demethylase 2A (198 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
PHF8 Tchem Histone lysine demethylase PHF8 (151 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 296.72 | Molecular Weight (Monoisotopic): 296.0577 | AlogP: 2.86 | #Rotatable Bonds: 2 |
| Polar Surface Area: 72.28 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.41 | CX Basic pKa: 2.51 | CX LogP: 2.87 | CX LogD: 2.58 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.62 | Np Likeness Score: -1.81 |
References
| 1. (2016) Histone demethylase inhibitors, |
Source
Source(1):