| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5287603
Max Phase: Preclinical
Molecular Formula: C17H16N4O3S
Molecular Weight: 356.41
Associated Items:
Representations
Canonical SMILES: CC(=O)C(C(C)=O)=C1SC(n2nc(O)cc2N)=CN1c1ccccc1
Standard InChI: InChI=1S/C17H16N4O3S/c1-10(22)16(11(2)23)17-20(12-6-4-3-5-7-12)9-15(25-17)21-13(18)8-14(24)19-21/h3-9H,18H2,1-2H3,(H,19,24)
Standard InChI Key: MVIRKXAGRJDRQK-UHFFFAOYSA-N
Associated Targets(Human)
SF-268 49410 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: 356.41 | Molecular Weight (Monoisotopic): 356.0943 | AlogP: 2.57 | #Rotatable Bonds: 4 |
| Polar Surface Area: 101.45 | Molecular Species: ACID | HBA: 8 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.31 | CX Basic pKa: 1.88 | CX LogP: 3.25 | CX LogD: 2.20 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.49 | Np Likeness Score: -0.88 |
References
| 1. Sharma PC, Bansal KK, Sharma A, Sharma D, Deep A.. (2020) Thiazole-containing compounds as therapeutic targets for cancer therapy., 188 [PMID:31926469] [10.1016/j.ejmech.2019.112016] |
Source
Source(1):