ID: ALA5316207
Chembl Id: CHEMBL5316207
Max Phase: Preclinical
Molecular Formula: C13H7ClN4Se
Molecular Weight: 333.64
Associated Items:
Canonical SMILES: Clc1ccc2nc(-c3ccc4n[se]nc4c3)[nH]c2c1
Standard InChI: InChI=1S/C13H7ClN4Se/c14-8-2-4-9-11(6-8)16-13(15-9)7-1-3-10-12(5-7)18-19-17-10/h1-6H,(H,15,16)
Standard InChI Key: MBSQIOXIBMLXML-UHFFFAOYSA-N
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 333.64 | Molecular Weight (Monoisotopic): 333.9524 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Chuai H, Zhang SQ, Bai H, Li J, Wang Y, Sun J, Wen E, Zhang J, Xin M.. (2021) Small molecule selenium-containing compounds: Recent development and therapeutic applications., 223 [PMID:34217061] [10.1016/j.ejmech.2021.113621] |
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