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N~1~-[4-(4-chlorophenoxy)phenyl]-N~2~,N~2~-dimethylglycinamide hydrochloride
ID: ALA1447837
Max Phase: Preclinical
Molecular Formula: C16H18Cl2N2O2
Molecular Weight: 304.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1.Cl
Standard InChI: InChI=1S/C16H17ClN2O2.ClH/c1-19(2)11-16(20)18-13-5-9-15(10-6-13)21-14-7-3-12(17)4-8-14;/h3-10H,11H2,1-2H3,(H,18,20);1H
Standard InChI Key: QGTJUTOWBPMGKC-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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 |
|---|
Properties
| Molecular Weight: 304.78 | Molecular Weight (Monoisotopic): 304.0979 | AlogP: 3.63 | #Rotatable Bonds: 5 |
| Polar Surface Area: 41.57 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.85 | CX Basic pKa: 7.18 | CX LogP: 3.21 | CX LogD: 3.00 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.92 | Np Likeness Score: -1.51 |
References
| 1. PubChem BioAssay data set, |
