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Methyl 2-(4-((2-(3-methoxyphenyl)-4-methyloxazol-5-yl)methoxy)phenyl)acetate
ID: ALA4209440
Chembl Id: CHEMBL4209440
PubChem CID: 145965425
Max Phase: Preclinical
Molecular Formula: C21H21NO5
Molecular Weight: 367.40
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: COC(=O)Cc1ccc(OCc2oc(-c3cccc(OC)c3)nc2C)cc1
Standard InChI: InChI=1S/C21H21NO5/c1-14-19(27-21(22-14)16-5-4-6-18(12-16)24-2)13-26-17-9-7-15(8-10-17)11-20(23)25-3/h4-10,12H,11,13H2,1-3H3
Standard InChI Key: GFUKCIXVOZBJQK-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 |
|---|
Calculated Properties
| Molecular Weight: 367.40 | Molecular Weight (Monoisotopic): 367.1420 | AlogP: 3.95 | #Rotatable Bonds: 7 |
| Polar Surface Area: 70.79 | Molecular Species: NEUTRAL | HBA: 6 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 3.18 | CX LogD: 3.18 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.59 | Np Likeness Score: -0.78 |
