| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5207640
Max Phase: Preclinical
Molecular Formula: C20H17ClN4O3
Molecular Weight: 396.83
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2nnc(-c3cc(Cl)ccc3-c3ccnn3C)o2)cc1OC
Standard InChI: InChI=1S/C20H17ClN4O3/c1-25-16(8-9-22-25)14-6-5-13(21)11-15(14)20-24-23-19(28-20)12-4-7-17(26-2)18(10-12)27-3/h4-11H,1-3H3
Standard InChI Key: CSHDCPRMVAQULX-UHFFFAOYSA-N
Associated Targets(Human)
Metabotropic glutamate receptor 7 376 Activities
Associated Targets(non-human)
Metabotropic glutamate receptor 7 580 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 396.83 | Molecular Weight (Monoisotopic): 396.0989 | AlogP: 4.47 | #Rotatable Bonds: 5 |
| Polar Surface Area: 75.20 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.99 | CX LogP: 3.29 | CX LogD: 3.29 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -1.14 |
References
| 1. Reed CW, Rodriguez AL, Kalbfleisch JJ, Seto M, Jenkins MT, Blobaum AL, Chang S, Lindsley CW, Niswender CM.. (2022) Development and profiling of mGlu7 NAMs with a range of saturable inhibition of agonist responses in vitro., 74 [PMID:35944850] [10.1016/j.bmcl.2022.128923] |
Source
Source(1):