ID: ALA2314116
Chembl Id: CHEMBL2314116
Cas Number: 1267658-49-0
PubChem CID: 51050433
Max Phase: Preclinical
Molecular Formula: C19H21NO3
Molecular Weight: 311.38
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=[11C](NC1CCCCC1)Oc1ccc(O)c(-c2ccccc2)c1
Standard InChI: InChI=1S/C19H21NO3/c21-18-12-11-16(13-17(18)14-7-3-1-4-8-14)23-19(22)20-15-9-5-2-6-10-15/h1,3-4,7-8,11-13,15,21H,2,5-6,9-10H2,(H,20,22)/i19-1
Standard InChI Key: KRJOFKFEYDSZAV-AWDFDDCISA-N
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| 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 |
| 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: 311.38 | Molecular Weight (Monoisotopic): 311.1521 | AlogP: 4.48 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.56 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.14 | CX Basic pKa: ┄ | CX LogP: 4.61 | CX LogD: 4.61 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.88 | Np Likeness Score: -0.28 |
| 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] |
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