The store will not work correctly when cookies are disabled.
SID17410323
ID: ALA1446166
Chembl Id: CHEMBL1446166
Cas Number: 135298-44-1
PubChem CID: 2744454
Max Phase: Preclinical
Molecular Formula: C16H11ClN2OS
Molecular Weight: 314.80
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(Nc1ccc(Cl)cc1)c1csc(-c2ccccc2)n1
Standard InChI: InChI=1S/C16H11ClN2OS/c17-12-6-8-13(9-7-12)18-15(20)14-10-21-16(19-14)11-4-2-1-3-5-11/h1-10H,(H,18,20)
Standard InChI Key: UDSYJVBVXRWNKE-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
Molecule Features
| 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 |
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 |
|---|
Calculated Properties
| Molecular Weight: 314.80 | Molecular Weight (Monoisotopic): 314.0281 | AlogP: 4.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 41.99 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.69 | CX Basic pKa: ┄ | CX LogP: 4.74 | CX LogD: 4.74 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.76 | Np Likeness Score: -2.14 |
References
| 1. PubChem BioAssay data set, |
