| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4744507
Max Phase: Preclinical
Molecular Formula: C13H10N4O2S
Molecular Weight: 286.32
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(Nc1ccc2nnsc2c1)N(O)c1ccccc1
Standard InChI: InChI=1S/C13H10N4O2S/c18-13(17(19)10-4-2-1-3-5-10)14-9-6-7-11-12(8-9)20-16-15-11/h1-8,19H,(H,14,18)
Standard InChI Key: YJYZCPIQZWSNDF-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: 286.32 | Molecular Weight (Monoisotopic): 286.0524 | AlogP: 3.12 | #Rotatable Bonds: 2 |
| Polar Surface Area: 78.35 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.65 | CX Basic pKa: | CX LogP: 2.83 | CX LogD: 2.80 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.56 | Np Likeness Score: -1.75 |
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):