| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1078145
Max Phase: Preclinical
Molecular Formula: C16H13ClN2O
Molecular Weight: 284.75
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C(=O)Nc2ccccc2Cl)c2ccccc21
Standard InChI: InChI=1S/C16H13ClN2O/c1-19-10-12(11-6-2-5-9-15(11)19)16(20)18-14-8-4-3-7-13(14)17/h2-10H,1H3,(H,18,20)
Standard InChI Key: HJUCTCWVRRKZSQ-UHFFFAOYSA-N
Associated Targets(Human)
Ephrin type-B receptor 3 1881 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: 284.75 | Molecular Weight (Monoisotopic): 284.0716 | AlogP: 4.08 | #Rotatable Bonds: 2 |
| Polar Surface Area: 34.03 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.99 | CX LogD: 3.99 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: -1.73 |
References
| 1. Qiao L, Choi S, Case A, Gainer TG, Seyb K, Glicksman MA, Lo DC, Stein RL, Cuny GD.. (2009) Structure-activity relationship study of EphB3 receptor tyrosine kinase inhibitors., 19 (21): [PMID:19783434] [10.1016/j.bmcl.2009.09.010] |
Source
Source(1):