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ID: ALA5270106
Max Phase: Preclinical
Molecular Formula: C10H15NOTe
Molecular Weight: 292.84
Associated Items:
Representations
Canonical SMILES: COc1ccc([Te]CC(C)N)cc1
Standard InChI: InChI=1S/C10H15NOTe/c1-8(11)7-13-10-5-3-9(12-2)4-6-10/h3-6,8H,7,11H2,1-2H3
Standard InChI Key: GVZRIDYADGWAAZ-UHFFFAOYSA-N
Associated Targets(Human)
Carbonic anhydrase I 13240 Activities
Carbonic anhydrase II 17698 Activities
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Carbonic anhydrase III 753 Activities
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Carbonic anhydrase IV 2163 Activities
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Carbonic anhydrase VA 1168 Activities
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Carbonic anhydrase VB 957 Activities
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Carbonic anhydrase VI 993 Activities
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Carbonic anhydrase VII 2318 Activities
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Carbonic anhydrase IX 8255 Activities
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Carbonic anhydrase XII 6231 Activities
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Carbonic anhydrase XIII 905 Activities
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Carbonic anhydrase XIV 1305 Activities
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Monoamine oxidase A 11911 Activities
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Monoamine oxidase B 8835 Activities
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Molecule Features
| 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 292.84 | Molecular Weight (Monoisotopic): 295.0216 | 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: |
References
| 1. Provensi G, Costa A, Rani B, Becagli MV, Vaiano F, Passani MB, Tanini D, Capperucci A, Carradori S, Petzer JP, Petzer A, Vullo D, Costantino G, Blandina P, Angeli A, Supuran CT.. (2022) New β-arylchalcogeno amines with procognitive properties targeting Carbonic Anhydrases and Monoamine Oxidases., 244 [PMID:36244185] [10.1016/j.ejmech.2022.114828] |
Source
Source(1):