ID: ALA2037356
Chembl Id: CHEMBL2037356
PubChem CID: 70681831
Max Phase: Preclinical
Molecular Formula: C16H12Cl2N2O2S
Molecular Weight: 367.26
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: Cc1ccc(-n2sc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2=O)cc1
Standard InChI: InChI=1S/C16H12Cl2N2O2S/c1-10-2-5-12(6-3-10)20-15(21)19(16(22)23-20)9-11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3
Standard InChI Key: QZBXDJFRINFQCJ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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: 367.26 | Molecular Weight (Monoisotopic): 365.9997 | AlogP: 3.72 | #Rotatable Bonds: 3 |
| Polar Surface Area: 44.00 | Molecular Species: ┄ | HBA: 5 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 5.46 | CX LogD: 5.46 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.71 | Np Likeness Score: -1.22 |
| 1. Turner EM, Blazer LL, Neubig RR, Husbands SM.. (2012) Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins., 3 (2): [PMID:22368763] [10.1021/ml200263y] |
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