| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286019
Max Phase: Preclinical
Molecular Formula: C7H9N
Molecular Weight: 107.16
Associated Items:
Representations
Canonical SMILES: Cc1ccnc(C)c1
Standard InChI: InChI=1S/C7H9N/c1-6-3-4-8-7(2)5-6/h3-5H,1-2H3
Standard InChI Key: JYYNAJVZFGKDEQ-UHFFFAOYSA-N
Associated Targets(Human)
UHRF1 Tbio E3 ubiquitin-protein ligase UHRF1 (160 Activities)
Molecule Features
| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 107.16 | Molecular Weight (Monoisotopic): 107.0735 | AlogP: 1.70 | #Rotatable Bonds: 0 |
| Polar Surface Area: 12.89 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.58 | CX LogP: 1.40 | CX LogD: 1.34 |
| Aromatic Rings: 1 | Heavy Atoms: 8 | QED Weighted: 0.49 | Np Likeness Score: -1.23 |
References
| 1. Vaidergorn MM, da Silva Emery F, Ganesan A.. (2021) From Hit Seeking to Magic Bullets: The Successful Union of Epigenetic and Fragment Based Drug Discovery (EPIDD + FBDD)., 64 (19.0): [PMID:34591474] [10.1021/acs.jmedchem.1c00787] |
Source
Source(1):