| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5187502
Max Phase: Preclinical
Molecular Formula: C24H20ClN3O
Molecular Weight: 401.90
Associated Items:
Representations
Canonical SMILES: Cc1ccc(CN(C)C(=O)c2nc(-c3ccccc3Cl)c3ccccc3n2)cc1
Standard InChI: InChI=1S/C24H20ClN3O/c1-16-11-13-17(14-12-16)15-28(2)24(29)23-26-21-10-6-4-8-19(21)22(27-23)18-7-3-5-9-20(18)25/h3-14H,15H2,1-2H3
Standard InChI Key: YWLYHFJLXGPKGR-UHFFFAOYSA-N
Associated Targets(Human)
Translocator protein 484 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: 401.90 | Molecular Weight (Monoisotopic): 401.1295 | AlogP: 5.53 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.09 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.21 | CX LogD: 6.21 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.45 | Np Likeness Score: -1.40 |
References
| 1. Thakur A, Faujdar C, Sharma R, Sharma S, Malik B, Nepali K, Liou JP.. (2022) Glioblastoma: Current Status, Emerging Targets, and Recent Advances., 65 (13.0): [PMID:35786935] [10.1021/acs.jmedchem.1c01946] |
Source
Source(1):