| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3287389
Max Phase: Preclinical
Molecular Formula: C10H7N3O
Molecular Weight: 185.19
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc2oc(-n3ccnc3)nc2c1
Standard InChI: InChI=1S/C10H7N3O/c1-2-4-9-8(3-1)12-10(14-9)13-6-5-11-7-13/h1-7H
Standard InChI Key: LMEKBKSSDFPZBQ-UHFFFAOYSA-N
Associated Targets(Human)
A2058 690 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: 185.19 | Molecular Weight (Monoisotopic): 185.0589 | AlogP: 2.01 | #Rotatable Bonds: 1 |
| Polar Surface Area: 43.85 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.50 | CX LogP: 1.77 | CX LogD: 1.76 |
| Aromatic Rings: 3 | Heavy Atoms: 14 | QED Weighted: 0.58 | Np Likeness Score: -1.90 |
References
| 1. Hedidi M, Bentabed-Ababsa G, Derdour A, Roisnel T, Dorcet V, Chevallier F, Picot L, Thiéry V, Mongin F.. (2014) Synthesis of C,N'-linked bis-heterocycles using a deprotometalation-iodination-N-arylation sequence and evaluation of their antiproliferative activity in melanoma cells., 22 (13): [PMID:24831678] [10.1016/j.bmc.2014.04.028] |
Source
Source(1):