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ID: ALA5284696
Chembl Id: CHEMBL5284696
Max Phase: Preclinical
Molecular Formula: C16H14N2O3Se
Molecular Weight: 361.26
Associated Items:
Canonical SMILES: Cc1ccc(NC(=[Se])NC(=O)c2ccc3c(c2)OCO3)cc1
Standard InChI: InChI=1S/C16H14N2O3Se/c1-10-2-5-12(6-3-10)17-16(22)18-15(19)11-4-7-13-14(8-11)21-9-20-13/h2-8H,9H2,1H3,(H2,17,18,19,22)
Standard InChI Key: ISZZZUADWPJVOT-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: | 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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Molecular Weight: 361.26 | Molecular Weight (Monoisotopic): 362.0170 | 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] |
Source(1):