| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4742257
Max Phase: Preclinical
Molecular Formula: C14H12N4OS
Molecular Weight: 284.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NC(C(=O)Nc1ccc2nnsc2c1)c1ccccc1
Standard InChI: InChI=1S/C14H12N4OS/c15-13(9-4-2-1-3-5-9)14(19)16-10-6-7-11-12(8-10)20-18-17-11/h1-8,13H,15H2,(H,16,19)
Standard InChI Key: AXHFGOHDPLZGKH-UHFFFAOYSA-N
Associated Targets(Human)
Bromodomain adjacent to zinc finger domain protein 1A 48 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 284.34 | Molecular Weight (Monoisotopic): 284.0732 | AlogP: 2.33 | #Rotatable Bonds: 3 |
| Polar Surface Area: 80.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.79 | CX Basic pKa: 7.52 | CX LogP: 2.29 | CX LogD: 1.93 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: -1.51 |
References
| 1. Yang Z,Zhou Y,Zhong L. (2021) Discovery of BAZ1A bromodomain inhibitors with the aid of virtual screening and activity evaluation., 33 [PMID:33333161] [10.1016/j.bmcl.2020.127745] |
Source
Source(1):