| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3347506
Max Phase: Preclinical
Molecular Formula: C19H16N4O
Molecular Weight: 316.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1c2ncccc2-c2nccc3c(N4CCCCC4)cnc1c23
Standard InChI: InChI=1S/C19H16N4O/c24-19-17-13(5-4-7-20-17)16-15-12(6-8-21-16)14(11-22-18(15)19)23-9-2-1-3-10-23/h4-8,11H,1-3,9-10H2
Standard InChI Key: WRGYMSQAWROLSQ-UHFFFAOYSA-N
Associated Targets(Human)
A-427 643 Activities
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: 316.36 | Molecular Weight (Monoisotopic): 316.1324 | AlogP: 3.23 | #Rotatable Bonds: 1 |
| Polar Surface Area: 58.98 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.54 | CX LogP: 2.56 | CX LogD: 2.56 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.54 | Np Likeness Score: 0.01 |
References
| 1. Chen JL, Sperry J, Ip NY, Brimble MA. (2011) Natural products targeting telomere maintenance, 2 (4): [10.1039/C0MD00241K] |
Source
Source(1):