| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2314123
Max Phase: Preclinical
Molecular Formula: C16H22N2O4
Molecular Weight: 306.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCN[11C](=O)Oc1ccc(O)c(C2=NCCO2)c1
Standard InChI: InChI=1S/C16H22N2O4/c1-2-3-4-5-8-18-16(20)22-12-6-7-14(19)13(11-12)15-17-9-10-21-15/h6-7,11,19H,2-5,8-10H2,1H3,(H,18,20)/i16-1
Standard InChI Key: XKJZXQHXTCVWGW-GKTGUEEDSA-N
Associated Targets(non-human)
Cortex 245 Activities
Hypothalamus 111 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
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: 306.36 | Molecular Weight (Monoisotopic): 306.1580 | AlogP: 2.84 | #Rotatable Bonds: 7 |
| Polar Surface Area: 80.15 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.30 | CX Basic pKa: 2.92 | CX LogP: 3.87 | CX LogD: 3.86 |
| Aromatic Rings: 1 | Heavy Atoms: 22 | QED Weighted: 0.76 | Np Likeness Score: -0.08 |
References
| 1. Wilson AA, Hicks JW, Sadovski O, Parkes J, Tong J, Houle S, Fowler CJ, Vasdev N.. (2013) Radiosynthesis and evaluation of [¹¹C-carbonyl]-labeled carbamates as fatty acid amide hydrolase radiotracers for positron emission tomography., 56 (1): [PMID:23214511] [10.1021/jm301492y] |
Source
Source(1):