| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5269380
Max Phase: Preclinical
Molecular Formula: C17H13ClN2O3
Molecular Weight: 328.75
Associated Items:
Representations
Canonical SMILES: Cc1ccc(O)cc1NC(=O)c1c[nH]c2c(Cl)cccc2c1=O
Standard InChI: InChI=1S/C17H13ClN2O3/c1-9-5-6-10(21)7-14(9)20-17(23)12-8-19-15-11(16(12)22)3-2-4-13(15)18/h2-8,21H,1H3,(H,19,22)(H,20,23)
Standard InChI Key: SMJNPSLWFBFIPG-UHFFFAOYSA-N
Associated Targets(non-human)
PC-12 7051 Activities
Molecule Features
| Natural Product: No | 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: 328.75 | Molecular Weight (Monoisotopic): 328.0615 | AlogP: 3.45 | #Rotatable Bonds: 2 |
| Polar Surface Area: 82.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.17 | CX Basic pKa: | CX LogP: 3.79 | CX LogD: 3.78 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.67 | Np Likeness Score: -0.92 |
References
| 1. Chen X, Zhu H, Liu X, Li Q, Dong M.. (2023) Design and synthesis of novel GluN2A NMDAR positive allosteric modulators via scaffold hopping strategy as anti-stroke therapeutic agents., 83 [PMID:36934527] [10.1016/j.bmc.2023.117236] |
Source
Source(1):