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[125I]I-OZAPINE
ID: ALA394738
Max Phase: Preclinical
Molecular Formula: C18H19IN4
Molecular Weight: 418.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(C2=Nc3cc([125I])ccc3Nc3ccccc32)CC1
Standard InChI: InChI=1S/C18H19IN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3/i19-2
Standard InChI Key: IWISDWLQUURCRG-GBVACIEGSA-N
Associated Targets(non-human)
Blood 1764 Activities
Spleen 906 Activities
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Pancreas 361 Activities
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Stomach 551 Activities
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Intestine 514 Activities
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Liver 8163 Activities
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Brain 4203 Activities
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Kidney 1278 Activities
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Lung 1108 Activities
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Heart 1016 Activities
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Thyroid 137 Activities
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Mus musculus 284745 Activities
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Cortex 47 Activities
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Striatum 23 Activities
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Hippocampus 75 Activities
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Thalamus 22 Activities
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Cerebellum 165 Activities
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Medulla 4 Activities
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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 |
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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: 418.28 | Molecular Weight (Monoisotopic): 418.0654 | AlogP: 3.67 | #Rotatable Bonds: 0 |
| Polar Surface Area: 30.87 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.35 | CX LogP: 3.73 | CX LogD: 3.45 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.66 | Np Likeness Score: -0.90 |
References
| 1. Joshua AV, Sharma SK, Strelkov A, Scott JR, Martin-Iverson MT, Abrams DN, Silverstone PH, McEwan AJ.. (2007) Synthesis and biodistribution of 8-iodo-11-(4-methylpiperazino)-5H-dibenzo[b,e][1,4]-diazepine: Iozapine., 17 (14): [PMID:17502140] [10.1016/j.bmcl.2007.04.069] |
Source
Source(1):