ID: ALA1808307
Chembl Id: CHEMBL1808307
Cas Number: 15903-58-9
PubChem CID: 140001
Max Phase: Preclinical
Molecular Formula: C14H11NS
Molecular Weight: 225.32
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccccc1-c1nc2ccccc2s1
Standard InChI: InChI=1S/C14H11NS/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14/h2-9H,1H3
Standard InChI Key: AMWVFOHECZHTQT-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 225.32 | Molecular Weight (Monoisotopic): 225.0612 | AlogP: 4.27 | #Rotatable Bonds: 1 |
| Polar Surface Area: 12.89 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.05 | CX LogP: 4.65 | CX LogD: 4.65 |
| Aromatic Rings: 3 | Heavy Atoms: 16 | QED Weighted: 0.60 | Np Likeness Score: -1.86 |
| 1. Khan KM, Rahim F, Halim SA, Taha M, Khan M, Perveen S, Zaheer-Ul-Haq, Mesaik MA, Iqbal Choudhary M.. (2011) Synthesis of novel inhibitors of β-glucuronidase based on benzothiazole skeleton and study of their binding affinity by molecular docking., 19 (14): [PMID:21684753] [10.1016/j.bmc.2011.05.052] |
| 2. Chhabra M, Sinha S, Banerjee S, Paira P.. (2016) An efficient green synthesis of 2-arylbenzothiazole analogues as potent antibacterial and anticancer agents., 26 (1): [PMID:26590102] [10.1016/j.bmcl.2015.10.087] |
Source(1):
